(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide

C18H28N4O2 — CID 99830387

IUPAC(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-21(3)17(23)14(2)19-18(24)20-15-10-12-22(13-11-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H2,19,20,24)/t14-/m0/s1
InChIKeyKMARTEFKHZZSKQ-AWEZNQCLSA-N
MW332.45 g/mol
LogP1.82
Rot. Bonds5

About (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide

(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide (PubChem CID 99830387) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide
PubChem CID99830387
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide
SMILESCCN(C)C(=O)[C@H](C)NC(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-21(3)17(23)14(2)19-18(24)20-15-10-12-22(13-11-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H2,19,20,24)/t14-/m0/s1
InChIKeyKMARTEFKHZZSKQ-AWEZNQCLSA-N
XLogP1.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
N-ethyl-N-methyl-1-phenylpiperidine-4-carboxamide
CID 67767896
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 125131576
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 103112486
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
(2S)-2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]carbamoylamino]-N,N-dimethylpropanamide
CID 124609038
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(3-ethylsulfanylpropyl)-3-(1-phenylpiperidin-4-yl)urea
CID 100728941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide (CID 99830387) is (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide is CCN(C)C(=O)[C@H](C)NC(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide?
The InChIKey is KMARTEFKHZZSKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-21(3)17(23)14(2)19-18(24)20-15-10-12-22(13-11-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H2,19,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide?
(2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide has a molecular weight of 332.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-methyl-2-[(1-phenylpiperidin-4-yl)carbamoylamino]propanamide is sourced from PubChem (CID 99830387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).