1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine

C48H69N13O3 — CID 158724948

IUPAC1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine
SMILESCNC(=O)C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCNCC1.O=C(O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19N5.C14H20N2O.C13H17NO2.C7H13N5/c1-18-14(15-16-17-18)13-7-9-19(10-8-13)11-12-5-3-2-4-6-12;1-15-14(17)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;1-12-7(9-10-11-12)6-2-4-8-5-3-6/h2-6,13H,7-11H2,1H3;2-6,13H,7-11H2,1H3,(H,15,17);1-5,12H,6-10H2,(H,15,16);6,8H,2-5H2,1H3
InChIKeyIKJQDFDPYZCTOF-UHFFFAOYSA-N
MW876.17 g/mol
LogP4.89
Rot. Bonds10

About 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine

1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine (PubChem CID 158724948) has the molecular formula C48H69N13O3 and a molecular weight of 876.17 g/mol. Its IUPAC name is 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine
PubChem CID158724948
Molecular FormulaC48H69N13O3
Molecular Weight876.17 g/mol
Exact Mass875.56
IUPAC Name1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine
SMILESCNC(=O)C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCNCC1.O=C(O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19N5.C14H20N2O.C13H17NO2.C7H13N5/c1-18-14(15-16-17-18)13-7-9-19(10-8-13)11-12-5-3-2-4-6-12;1-15-14(17)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;1-12-7(9-10-11-12)6-2-4-8-5-3-6/h2-6,13H,7-11H2,1H3;2-6,13H,7-11H2,1H3,(H,15,17);1-5,12H,6-10H2,(H,15,16);6,8H,2-5H2,1H3
InChIKeyIKJQDFDPYZCTOF-UHFFFAOYSA-N
XLogP4.89
TPSA175.35 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.17
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine?
The IUPAC name of 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine (CID 158724948) is 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine.
What is the SMILES notation for 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine?
The canonical SMILES for 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine is CNC(=O)C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCN(Cc2ccccc2)CC1.Cn1nnnc1C1CCNCC1.O=C(O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine?
The InChIKey is IKJQDFDPYZCTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.C14H20N2O.C13H17NO2.C7H13N5/c1-18-14(15-16-17-18)13-7-9-19(10-8-13)11-12-5-3-2-4-6-12;1-15-14(17)13-7-9-16(10-8-13)11-12-5-3-2-4-6-12;15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;1-12-7(9-10-11-12)6-2-4-8-5-3-6/h2-6,13H,7-11H2,1H3;2-6,13H,7-11H2,1H3,(H,15,17);1-5,12H,6-10H2,(H,15,16);6,8H,2-5H2,1H3.
What are the key properties of 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine?
1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine has a molecular weight of 876.17 g/mol, XLogP of 4.89, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylpiperidine-4-carboxamide;1-benzyl-4-(1-methyltetrazol-5-yl)piperidine;1-benzylpiperidine-4-carboxylic acid;4-(1-methyltetrazol-5-yl)piperidine is sourced from PubChem (CID 158724948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).