N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

C27H35N3O3S — CID 55993255

IUPACN-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)CC2)CC1
InChIInChI=1S/C27H35N3O3S/c1-20-10-14-29(15-11-20)26(32)21-12-16-30(17-13-21)27(33)22-5-2-6-23(19-22)28-25(31)9-3-7-24-8-4-18-34-24/h2,4-6,8,18-21H,3,7,9-17H2,1H3,(H,28,31)
InChIKeyOFBXMXADPJOXPS-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.82
Rot. Bonds7

About N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 55993255) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID55993255
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC NameN-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)CC2)CC1
InChIInChI=1S/C27H35N3O3S/c1-20-10-14-29(15-11-20)26(32)21-12-16-30(17-13-21)27(33)22-5-2-6-23(19-22)28-25(31)9-3-7-24-8-4-18-34-24/h2,4-6,8,18-21H,3,7,9-17H2,1H3,(H,28,31)
InChIKeyOFBXMXADPJOXPS-UHFFFAOYSA-N
XLogP4.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
CID 56551130
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967041
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
CID 55961487
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (CID 55993255) is N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is CC1CCN(C(=O)C2CCN(C(=O)c3cccc(NC(=O)CCCc4cccs4)c3)CC2)CC1.
What is the InChIKey of N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is OFBXMXADPJOXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-20-10-14-29(15-11-20)26(32)21-12-16-30(17-13-21)27(33)22-5-2-6-23(19-22)28-25(31)9-3-7-24-8-4-18-34-24/h2,4-6,8,18-21H,3,7,9-17H2,1H3,(H,28,31).
What are the key properties of N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 481.66 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 55993255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).