(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide

C13H20N6O2 — CID 94182054

IUPAC(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C13H20N6O2/c20-12(8-19-9-15-16-17-19)18-5-1-2-11(7-18)13(21)14-6-10-3-4-10/h9-11H,1-8H2,(H,14,21)/t11-/m1/s1
InChIKeyODLREQPOIJALMC-LLVKDONJSA-N
MW292.34 g/mol
LogP-0.56
Rot. Bonds5

About (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 94182054) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID94182054
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1
InChIInChI=1S/C13H20N6O2/c20-12(8-19-9-15-16-17-19)18-5-1-2-11(7-18)13(21)14-6-10-3-4-10/h9-11H,1-8H2,(H,14,21)/t11-/m1/s1
InChIKeyODLREQPOIJALMC-LLVKDONJSA-N
XLogP-0.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 72895304
N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide
CID 55845837
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(tetrazol-1-yl)ethanone
CID 43596168
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
CID 126804577
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
2-ethyl-4-methyl-N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131944892

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide (CID 94182054) is (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide is O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is ODLREQPOIJALMC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N6O2/c20-12(8-19-9-15-16-17-19)18-5-1-2-11(7-18)13(21)14-6-10-3-4-10/h9-11H,1-8H2,(H,14,21)/t11-/m1/s1.
What are the key properties of (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94182054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).