ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate

C15H25N7O3 — CID 31005006

IUPACethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H]2CCCN(C(=O)Cn3cnnn3)C2)CC1
InChIInChI=1S/C15H25N7O3/c1-2-25-15(24)20-8-6-19(7-9-20)13-4-3-5-21(10-13)14(23)11-22-12-16-17-18-22/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyHHWVTJHXIIOFCN-ZDUSSCGKSA-N
MW351.41 g/mol
LogP-0.56
Rot. Bonds4

About ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 31005006) has the molecular formula C15H25N7O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
PubChem CID31005006
Molecular FormulaC15H25N7O3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Nameethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H]2CCCN(C(=O)Cn3cnnn3)C2)CC1
InChIInChI=1S/C15H25N7O3/c1-2-25-15(24)20-8-6-19(7-9-20)13-4-3-5-21(10-13)14(23)11-22-12-16-17-18-22/h12-13H,2-11H2,1H3/t13-/m0/s1
InChIKeyHHWVTJHXIIOFCN-ZDUSSCGKSA-N
XLogP-0.56
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 45211610
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl 4-[(3R)-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 25384108
ethyl 4-[(3S)-1-[2-(3,4-dimethylphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 95713864
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606683
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
ethyl 4-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209996
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
ethyl 4-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45206671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate (CID 31005006) is ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@H]2CCCN(C(=O)Cn3cnnn3)C2)CC1.
What is the InChIKey of ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is HHWVTJHXIIOFCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N7O3/c1-2-25-15(24)20-8-6-19(7-9-20)13-4-3-5-21(10-13)14(23)11-22-12-16-17-18-22/h12-13H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 31005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).