N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide

C22H27N3O2 — CID 119461783

IUPACN-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C22H27N3O2/c26-21(24-16-17-8-7-13-23-15-17)14-20(18-9-3-1-4-10-18)25-22(27)19-11-5-2-6-12-19/h1-6,9-12,17,20,23H,7-8,13-16H2,(H,24,26)(H,25,27)
InChIKeyNYDUNVPXRWZYEF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.66
Rot. Bonds7

About N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide

N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide (PubChem CID 119461783) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
PubChem CID119461783
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C22H27N3O2/c26-21(24-16-17-8-7-13-23-15-17)14-20(18-9-3-1-4-10-18)25-22(27)19-11-5-2-6-12-19/h1-6,9-12,17,20,23H,7-8,13-16H2,(H,24,26)(H,25,27)
InChIKeyNYDUNVPXRWZYEF-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 48875034
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
CID 166240795
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide (CID 119461783) is N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CCCNC1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide?
The InChIKey is NYDUNVPXRWZYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(24-16-17-8-7-13-23-15-17)14-20(18-9-3-1-4-10-18)25-22(27)19-11-5-2-6-12-19/h1-6,9-12,17,20,23H,7-8,13-16H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide?
N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 119461783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).