N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide

C19H24N6O2 — CID 55811341

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)C1
InChIInChI=1S/C19H24N6O2/c1-2-17(26)24-11-3-4-14(12-24)19(27)20-15-7-5-13(6-8-15)18-21-22-23-25(18)16-9-10-16/h5-8,14,16H,2-4,9-12H2,1H3,(H,20,27)
InChIKeyJZHHZPMSAVTWOC-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55811341) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55811341
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)C1
InChIInChI=1S/C19H24N6O2/c1-2-17(26)24-11-3-4-14(12-24)19(27)20-15-7-5-13(6-8-15)18-21-22-23-25(18)16-9-10-16/h5-8,14,16H,2-4,9-12H2,1H3,(H,20,27)
InChIKeyJZHHZPMSAVTWOC-UHFFFAOYSA-N
XLogP2.26
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55871872
2-cyclopentyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
CID 87035105
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide (CID 55811341) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)C1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is JZHHZPMSAVTWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-17(26)24-11-3-4-14(12-24)19(27)20-15-7-5-13(6-8-15)18-21-22-23-25(18)16-9-10-16/h5-8,14,16H,2-4,9-12H2,1H3,(H,20,27).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55811341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).