(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide

C18H24N6O — CID 94521674

IUPAC(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
SMILESCc1ccc(-n2nnnc2N2CCC[C@H](C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C18H24N6O/c1-13-4-8-16(9-5-13)24-18(20-21-22-24)23-10-2-3-15(12-23)17(25)19-11-14-6-7-14/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,25)/t15-/m0/s1
InChIKeyYEXVPZAHYAGZHH-HNNXBMFYSA-N
MW340.43 g/mol
LogP1.71
Rot. Bonds5

About (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide

(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide (PubChem CID 94521674) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
PubChem CID94521674
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
SMILESCc1ccc(-n2nnnc2N2CCC[C@H](C(=O)NCC3CC3)C2)cc1
InChIInChI=1S/C18H24N6O/c1-13-4-8-16(9-5-13)24-18(20-21-22-24)23-10-2-3-15(12-23)17(25)19-11-14-6-7-14/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,25)/t15-/m0/s1
InChIKeyYEXVPZAHYAGZHH-HNNXBMFYSA-N
XLogP1.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
N-(6-methyl-2-pyridinyl)-1-(1-phenyltetrazol-5-yl)piperidine-3-carboxamide
CID 47066462
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
1-(3-chloro-4-methyl-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 75457578
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53031034
5-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122106801
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
(3S)-1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-[2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 134516295

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide (CID 94521674) is (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide is Cc1ccc(-n2nnnc2N2CCC[C@H](C(=O)NCC3CC3)C2)cc1.
What is the InChIKey of (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide?
The InChIKey is YEXVPZAHYAGZHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-4-8-16(9-5-13)24-18(20-21-22-24)23-10-2-3-15(12-23)17(25)19-11-14-6-7-14/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3,(H,19,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide?
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94521674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).