ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

C26H35N5O3 — CID 26354667

IUPACethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cn[nH]c2-c2ccccc2)CC3)CC1
InChIInChI=1S/C26H35N5O3/c1-2-34-25(33)31-12-8-21(9-13-31)28-24(32)22-16-26(22)10-14-30(15-11-26)18-20-17-27-29-23(20)19-6-4-3-5-7-19/h3-7,17,21-22H,2,8-16,18H2,1H3,(H,27,29)(H,28,32)/t22-/m0/s1
InChIKeyLUBWDYXAJBBMIC-QFIPXVFZSA-N
MW465.60 g/mol
LogP3.42
Rot. Bonds6

About ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 26354667) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
PubChem CID26354667
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Nameethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cn[nH]c2-c2ccccc2)CC3)CC1
InChIInChI=1S/C26H35N5O3/c1-2-34-25(33)31-12-8-21(9-13-31)28-24(32)22-16-26(22)10-14-30(15-11-26)18-20-17-27-29-23(20)19-6-4-3-5-7-19/h3-7,17,21-22H,2,8-16,18H2,1H3,(H,27,29)(H,28,32)/t22-/m0/s1
InChIKeyLUBWDYXAJBBMIC-QFIPXVFZSA-N
XLogP3.42
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

(2S)-N-(2-methoxyphenyl)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42421030
ethyl 4-[[6-[(3,4-dimethoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 45168562
ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 118754894
ethyl 4-[[(2R)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42344279
ethyl 4-[[(2S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 25290631
ethyl 4-[[(2R)-6-(3-phenoxypropanoyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 42539034
(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42170363
ethyl 4-[[(2R)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 125165941
methyl 1-ethoxy-2-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 56852137
ethyl 4-[[(2R)-6-[(3R)-3-(5-methylfuran-2-yl)butyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26282736
ethyl 4-[[(2S)-6-[[(1S)-cyclohex-3-en-1-yl]methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 26278265
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate (CID 26354667) is ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CCN(Cc2cn[nH]c2-c2ccccc2)CC3)CC1.
What is the InChIKey of ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is LUBWDYXAJBBMIC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-2-34-25(33)31-12-8-21(9-13-31)28-24(32)22-16-26(22)10-14-30(15-11-26)18-20-17-27-29-23(20)19-6-4-3-5-7-19/h3-7,17,21-22H,2,8-16,18H2,1H3,(H,27,29)(H,28,32)/t22-/m0/s1.
What are the key properties of ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 26354667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).