(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide

C17H23N7O2 — CID 99944023

IUPAC(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCn1nnc(-c2ccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H23N7O2/c1-23-21-16(20-22-23)12-4-6-13(7-5-12)17(26)19-8-10-24-9-2-3-14(11-24)15(18)25/h4-7,14H,2-3,8-11H2,1H3,(H2,18,25)(H,19,26)/t14-/m1/s1
InChIKeyQYTVMIADKNSBAH-CQSZACIVSA-N
MW357.42 g/mol
LogP-0.20
Rot. Bonds6

About (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide

(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 99944023) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID99944023
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCn1nnc(-c2ccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n1
InChIInChI=1S/C17H23N7O2/c1-23-21-16(20-22-23)12-4-6-13(7-5-12)17(26)19-8-10-24-9-2-3-14(11-24)15(18)25/h4-7,14H,2-3,8-11H2,1H3,(H2,18,25)(H,19,26)/t14-/m1/s1
InChIKeyQYTVMIADKNSBAH-CQSZACIVSA-N
XLogP-0.20
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
(3R)-1-[2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125166749
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide (CID 99944023) is (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide is Cn1nnc(-c2ccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)cc2)n1.
What is the InChIKey of (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is QYTVMIADKNSBAH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-23-21-16(20-22-23)12-4-6-13(7-5-12)17(26)19-8-10-24-9-2-3-14(11-24)15(18)25/h4-7,14H,2-3,8-11H2,1H3,(H2,18,25)(H,19,26)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 99944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).