N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide

C18H27N3O2 — CID 131924875

IUPACN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)C(C)N1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-14(21-12-6-3-7-13-21)18(23)20-16-9-5-4-8-15(16)10-11-17(22)19-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPVIXBISZSDDHPT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.18
Rot. Bonds6

About N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide

N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide (PubChem CID 131924875) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
PubChem CID131924875
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide
SMILESCNC(=O)CCc1ccccc1NC(=O)C(C)N1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-14(21-12-6-3-7-13-21)18(23)20-16-9-5-4-8-15(16)10-11-17(22)19-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyPVIXBISZSDDHPT-UHFFFAOYSA-N
XLogP2.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43211808
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(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
N-(2-benzylphenyl)-2-(4-cyclopentylpiperazin-1-yl)propanamide
CID 86928115
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(2-chlorophenyl)propanamide
CID 47068779
(2S)-N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylpropanamide
CID 1332847

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide (CID 131924875) is N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide is CNC(=O)CCc1ccccc1NC(=O)C(C)N1CCCCC1.
What is the InChIKey of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide?
The InChIKey is PVIXBISZSDDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(21-12-6-3-7-13-21)18(23)20-16-9-5-4-8-15(16)10-11-17(22)19-2/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide?
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 131924875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).