N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

C17H27ClN4O2 — CID 119918549

IUPACN-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)NC(=O)NCc2ccccc2)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(21-10-6-9-15(12-21)18-2)16(22)20-17(23)19-11-14-7-4-3-5-8-14;/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H2,19,20,22,23);1H
InChIKeyHZOZFSYTAXGAOQ-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.51
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride

N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (PubChem CID 119918549) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
PubChem CID119918549
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)NC(=O)NCc2ccccc2)C1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-13(21-10-6-9-15(12-21)18-2)16(22)20-17(23)19-11-14-7-4-3-5-8-14;/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H2,19,20,22,23);1H
InChIKeyHZOZFSYTAXGAOQ-UHFFFAOYSA-N
XLogP1.51
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119919543
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
(2R)-2-[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-N-benzylpropanamide
CID 100625483
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 86993293
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
(2R)-N-(benzylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460175

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride (CID 119918549) is N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)NC(=O)NCc2ccccc2)C1.Cl.
What is the InChIKey of N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is HZOZFSYTAXGAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-13(21-10-6-9-15(12-21)18-2)16(22)20-17(23)19-11-14-7-4-3-5-8-14;/h3-5,7-8,13,15,18H,6,9-12H2,1-2H3,(H2,19,20,22,23);1H.
What are the key properties of N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride?
N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 119918549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).