ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate

C22H35N5O3 — CID 126463677

IUPACethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC23CCN(Cc2cn(CC)nc2C)CC3)CC1
InChIInChI=1S/C22H35N5O3/c1-4-27-16-18(17(3)23-27)15-24-8-6-22(7-9-24)14-19(22)20(28)25-10-12-26(13-11-25)21(29)30-5-2/h16,19H,4-15H2,1-3H3
InChIKeyNDNNSOPCZHMICV-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.11
Rot. Bonds5

About ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate (PubChem CID 126463677) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
PubChem CID126463677
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Nameethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC23CCN(Cc2cn(CC)nc2C)CC3)CC1
InChIInChI=1S/C22H35N5O3/c1-4-27-16-18(17(3)23-27)15-24-8-6-22(7-9-24)14-19(22)20(28)25-10-12-26(13-11-25)21(29)30-5-2/h16,19H,4-15H2,1-3H3
InChIKeyNDNNSOPCZHMICV-UHFFFAOYSA-N
XLogP2.11
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 124075214
2-cyclopropyl-9-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747835
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97189004
1-[2-(4-Cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 45166292
4-(3-{1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}propanoyl)morpholine
CID 45242929
isobutyl 4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 56751961
Cyclohexyl-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333841
Cyclohexyl-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19572348
3-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 25297961
3-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 25297963
ethyl 4-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29153603
ethyl 4-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 29153605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate (CID 126463677) is ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC23CCN(Cc2cn(CC)nc2C)CC3)CC1.
What is the InChIKey of ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is NDNNSOPCZHMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-4-27-16-18(17(3)23-27)15-24-8-6-22(7-9-24)14-19(22)20(28)25-10-12-26(13-11-25)21(29)30-5-2/h16,19H,4-15H2,1-3H3.
What are the key properties of ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 417.55 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 126463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).