(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide

C15H19N7O2 — CID 97126070

IUPAC(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H19N7O2/c16-15(24)21-8-4-5-11(10-21)14(23)17-9-13-18-19-20-22(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H2,16,24)(H,17,23)/t11-/m1/s1
InChIKeyKMANFWOYMRIGRB-LLVKDONJSA-N
MW329.36 g/mol
LogP0.07
Rot. Bonds4

About (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 97126070) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID97126070
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C15H19N7O2/c16-15(24)21-8-4-5-11(10-21)14(23)17-9-13-18-19-20-22(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H2,16,24)(H,17,23)/t11-/m1/s1
InChIKeyKMANFWOYMRIGRB-LLVKDONJSA-N
XLogP0.07
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
1,1-dioxo-N-[(1-phenyltetrazol-5-yl)methyl]thiolane-3-carboxamide
CID 119071240
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(1-phenyltetrazol-5-yl)methyl cyclopentanecarboxylate
CID 60602109
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide (CID 97126070) is (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1.
What is the InChIKey of (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is KMANFWOYMRIGRB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N7O2/c16-15(24)21-8-4-5-11(10-21)14(23)17-9-13-18-19-20-22(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H2,16,24)(H,17,23)/t11-/m1/s1.
What are the key properties of (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97126070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).