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

C13H20N6O2 — CID 47043968

IUPACN-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(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)
InChIKeyODLREQPOIJALMC-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.56
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 47043968) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID47043968
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(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)
InChIKeyODLREQPOIJALMC-UHFFFAOYSA-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

N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
2-(1H-tetrazol-1-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72848452
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
CID 71895473
1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988715
(3S)-1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97584629
(3R)-1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97584630
N-[2-(3-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
CID 45823954
N-(cyclopropylmethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 45826770
2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide
CID 47041996
N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide
CID 47042913
4-{[trans-4-(1H-tetrazol-1-ylmethyl)cyclohexyl]carbonyl}piperazin-2-one
CID 51044830
N-(2-methylpropyl)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 51081031

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide (CID 47043968) is N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)Cn2cnnn2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is ODLREQPOIJALMC-UHFFFAOYSA-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).
What are the key properties of N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide?
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 N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 47043968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).