N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide

C24H31N3O2S — CID 56551130

IUPACN-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C24H31N3O2S/c28-23(10-4-8-22-9-5-17-30-22)25-20-7-3-6-19(18-20)24(29)27-15-11-21(12-16-27)26-13-1-2-14-26/h3,5-7,9,17-18,21H,1-2,4,8,10-16H2,(H,25,28)
InChIKeyOKRWXIXMPDTMTH-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.41
Rot. Bonds7

About N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide

N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 56551130) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID56551130
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C24H31N3O2S/c28-23(10-4-8-22-9-5-17-30-22)25-20-7-3-6-19(18-20)24(29)27-15-11-21(12-16-27)26-13-1-2-14-26/h3,5-7,9,17-18,21H,1-2,4,8,10-16H2,(H,25,28)
InChIKeyOKRWXIXMPDTMTH-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
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-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967041
N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
CID 55961487
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-[3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967328
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide (CID 56551130) is N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is OKRWXIXMPDTMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c28-23(10-4-8-22-9-5-17-30-22)25-20-7-3-6-19(18-20)24(29)27-15-11-21(12-16-27)26-13-1-2-14-26/h3,5-7,9,17-18,21H,1-2,4,8,10-16H2,(H,25,28).
What are the key properties of N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide?
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 425.60 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 56551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).