4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C27H35N3O2 — CID 69451741

IUPAC4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1
InChIInChI=1S/C27H35N3O2/c1-32-26-9-7-24(8-10-26)28-27(31)30-17-12-21(13-18-30)22-6-5-20-11-15-29(25-3-2-4-25)16-14-23(20)19-22/h5-10,19,21,25H,2-4,11-18H2,1H3,(H,28,31)
InChIKeyNHRGBHFHRMOWRL-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.06
Rot. Bonds4

About 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 69451741) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID69451741
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1
InChIInChI=1S/C27H35N3O2/c1-32-26-9-7-24(8-10-26)28-27(31)30-17-12-21(13-18-30)22-6-5-20-11-15-29(25-3-2-4-25)16-14-23(20)19-22/h5-10,19,21,25H,2-4,11-18H2,1H3,(H,28,31)
InChIKeyNHRGBHFHRMOWRL-UHFFFAOYSA-N
XLogP5.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124516055
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 58940736
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(4-methoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165118
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 59558121
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-cyclohexylmethanone
CID 68509579
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 69451741) is 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3ccc4c(c3)CCN(C3CCC3)CC4)CC2)cc1.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is NHRGBHFHRMOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-32-26-9-7-24(8-10-26)28-27(31)30-17-12-21(13-18-30)22-6-5-20-11-15-29(25-3-2-4-25)16-14-23(20)19-22/h5-10,19,21,25H,2-4,11-18H2,1H3,(H,28,31).
What are the key properties of 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 69451741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).