3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide

C18H28N4O2 — CID 119442803

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-21(14-15-6-4-3-5-7-15)18(24)20-13-10-17(23)22(2)16-8-11-19-12-9-16/h3-7,16,19H,8-14H2,1-2H3,(H,20,24)
InChIKeyGKQNEMKCAJOUQE-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.43
Rot. Bonds6

About 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 119442803) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID119442803
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)N(C)C1CCNCC1
InChIInChI=1S/C18H28N4O2/c1-21(14-15-6-4-3-5-7-15)18(24)20-13-10-17(23)22(2)16-8-11-19-12-9-16/h3-7,16,19H,8-14H2,1-2H3,(H,20,24)
InChIKeyGKQNEMKCAJOUQE-UHFFFAOYSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-[[benzyl(methyl)carbamoyl]amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446987
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
CID 96998499
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide (CID 119442803) is 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)N(C)C1CCNCC1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is GKQNEMKCAJOUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21(14-15-6-4-3-5-7-15)18(24)20-13-10-17(23)22(2)16-8-11-19-12-9-16/h3-7,16,19H,8-14H2,1-2H3,(H,20,24).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119442803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).