2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide

C18H28N4O2 — CID 56818396

IUPAC2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(N)=O
InChIInChI=1S/C18H28N4O2/c1-14(21(2)13-17(19)23)18(24)20-16-8-10-22(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyHRHNNQHSBISZJK-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.57
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide

2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 56818396) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID56818396
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(N)=O
InChIInChI=1S/C18H28N4O2/c1-14(21(2)13-17(19)23)18(24)20-16-8-10-22(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyHRHNNQHSBISZJK-UHFFFAOYSA-N
XLogP0.57
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]propanamide
CID 98791947
N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 111431834
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide (CID 56818396) is 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide is CC(C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is HRHNNQHSBISZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(21(2)13-17(19)23)18(24)20-16-8-10-22(11-9-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H2,19,23)(H,20,24).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide?
2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylamino]-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 56818396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).