N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide

C17H25N3O2 — CID 119468615

IUPACN-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)16(21)19-14-8-6-13(7-9-14)17(22)20-10-4-3-5-15(20)11-18/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21)
InChIKeyWIKVDNWYOZPMBJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.23
Rot. Bonds4

About N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide

N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide (PubChem CID 119468615) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
PubChem CID119468615
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N2CCCCC2CN)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)16(21)19-14-8-6-13(7-9-14)17(22)20-10-4-3-5-15(20)11-18/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21)
InChIKeyWIKVDNWYOZPMBJ-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119469857
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119468234
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
N-cyclopentyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972945
N-(2-aminoethyl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 119481429
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide (CID 119468615) is N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)N2CCCCC2CN)cc1.
What is the InChIKey of N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
The InChIKey is WIKVDNWYOZPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)16(21)19-14-8-6-13(7-9-14)17(22)20-10-4-3-5-15(20)11-18/h6-9,12,15H,3-5,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide?
N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 119468615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).