(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide

C21H28N4O — CID 97187053

IUPAC(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-17(14-21(26)24-19-8-4-2-5-9-19)23-16-18-10-11-22-20(15-18)25-12-6-3-7-13-25/h2,4-5,8-11,15,17,23H,3,6-7,12-14,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyGXIHQKXRILFWJN-QGZVFWFLSA-N
MW352.48 g/mol
LogP3.58
Rot. Bonds7

About (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide

(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide (PubChem CID 97187053) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide.

Molecular Properties

Compound Name(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
PubChem CID97187053
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H28N4O/c1-17(14-21(26)24-19-8-4-2-5-9-19)23-16-18-10-11-22-20(15-18)25-12-6-3-7-13-25/h2,4-5,8-11,15,17,23H,3,6-7,12-14,16H2,1H3,(H,24,26)/t17-/m1/s1
InChIKeyGXIHQKXRILFWJN-QGZVFWFLSA-N
XLogP3.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 131963182
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 78890544

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide?
The IUPAC name of (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide (CID 97187053) is (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide.
What is the SMILES notation for (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide?
The canonical SMILES for (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide is C[C@H](CC(=O)Nc1ccccc1)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide?
The InChIKey is GXIHQKXRILFWJN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17(14-21(26)24-19-8-4-2-5-9-19)23-16-18-10-11-22-20(15-18)25-12-6-3-7-13-25/h2,4-5,8-11,15,17,23H,3,6-7,12-14,16H2,1H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide?
(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide is sourced from PubChem (CID 97187053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).