(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide

C12H22N6O — CID 126442269

IUPAC(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1
InChIInChI=1S/C12H22N6O/c1-2-18-8-4-5-10(9-18)12(19)13-7-3-6-11-14-16-17-15-11/h10H,2-9H2,1H3,(H,13,19)(H,14,15,16,17)/t10-/m0/s1
InChIKeyWWBQTWRMJXKJPY-JTQLQIEISA-N
MW266.35 g/mol
LogP-0.02
Rot. Bonds6

About (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide

(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide (PubChem CID 126442269) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
PubChem CID126442269
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1
InChIInChI=1S/C12H22N6O/c1-2-18-8-4-5-10(9-18)12(19)13-7-3-6-11-14-16-17-15-11/h10H,2-9H2,1H3,(H,13,19)(H,14,15,16,17)/t10-/m0/s1
InChIKeyWWBQTWRMJXKJPY-JTQLQIEISA-N
XLogP-0.02
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
1-(3-piperidin-4-ylpropanoyl)-N-[2-(2H-tetrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 15887960
1-ethyl-N-hydroxypiperidine-3-carboxamide
CID 57080127
(4aR,6S,8aR)-4-N-propyl-6-N-[3-(2H-tetrazol-5-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4,6-dicarboxamide
CID 157013706
1-ethylpiperidine-3-carbohydrazide
CID 68651092
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
(3S)-1,2,2-trimethyl-5-oxo-N-[3-(2H-tetrazol-5-yl)propyl]pyrrolidine-3-carboxamide
CID 126439441
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
CID 61494091
N-decyl-1-[[4-[[3-(decylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;hydrobromide
CID 67872963
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide (CID 126442269) is (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide is CCN1CCC[C@H](C(=O)NCCCc2nn[nH]n2)C1.
What is the InChIKey of (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
The InChIKey is WWBQTWRMJXKJPY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N6O/c1-2-18-8-4-5-10(9-18)12(19)13-7-3-6-11-14-16-17-15-11/h10H,2-9H2,1H3,(H,13,19)(H,14,15,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide?
(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide has a molecular weight of 266.35 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 126442269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).