3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide

C22H28N4O2 — CID 119848954

IUPAC3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(CC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1)C1CCCNC1
InChIInChI=1S/C22H28N4O2/c1-16(18-7-5-10-23-14-18)12-21(27)26-19-9-4-6-17(13-19)22(28)25-15-20-8-2-3-11-24-20/h2-4,6,8-9,11,13,16,18,23H,5,7,10,12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyNGQMKSYVIFSJRV-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.98
Rot. Bonds7

About 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide

3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 119848954) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID119848954
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(CC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1)C1CCCNC1
InChIInChI=1S/C22H28N4O2/c1-16(18-7-5-10-23-14-18)12-21(27)26-19-9-4-6-17(13-19)22(28)25-15-20-8-2-3-11-24-20/h2-4,6,8-9,11,13,16,18,23H,5,7,10,12,14-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyNGQMKSYVIFSJRV-UHFFFAOYSA-N
XLogP2.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 47041310
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide (CID 119848954) is 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide is CC(CC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1)C1CCCNC1.
What is the InChIKey of 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NGQMKSYVIFSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(18-7-5-10-23-14-18)12-21(27)26-19-9-4-6-17(13-19)22(28)25-15-20-8-2-3-11-24-20/h2-4,6,8-9,11,13,16,18,23H,5,7,10,12,14-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide?
3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-3-ylbutanoylamino)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 119848954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).