N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

C24H27N5O2S — CID 55961440

IUPACN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H27N5O2S/c30-22(9-2-7-21-8-3-16-32-21)27-20-6-1-5-18(17-20)23(31)28-19-10-14-29(15-11-19)24-25-12-4-13-26-24/h1,3-6,8,12-13,16-17,19H,2,7,9-11,14-15H2,(H,27,30)(H,28,31)
InChIKeyPEGRDTBTBRNXNH-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.90
Rot. Bonds8

About N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 55961440) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID55961440
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H27N5O2S/c30-22(9-2-7-21-8-3-16-32-21)27-20-6-1-5-18(17-20)23(31)28-19-10-14-29(15-11-19)24-25-12-4-13-26-24/h1,3-6,8,12-13,16-17,19H,2,7,9-11,14-15H2,(H,27,30)(H,28,31)
InChIKeyPEGRDTBTBRNXNH-UHFFFAOYSA-N
XLogP3.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 55961440) is N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is PEGRDTBTBRNXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c30-22(9-2-7-21-8-3-16-32-21)27-20-6-1-5-18(17-20)23(31)28-19-10-14-29(15-11-19)24-25-12-4-13-26-24/h1,3-6,8,12-13,16-17,19H,2,7,9-11,14-15H2,(H,27,30)(H,28,31).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 55961440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).