2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

C19H30N4O2 — CID 94796883

IUPAC2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCCc1ccc([C@H](C)NC(=O)NC2CCN(CC(=O)NC)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-4-15-5-7-16(8-6-15)14(2)21-19(25)22-17-9-11-23(12-10-17)13-18(24)20-3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyVYBBJKSUUQFSKN-AWEZNQCLSA-N
MW346.48 g/mol
LogP1.82
Rot. Bonds6

About 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 94796883) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID94796883
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
SMILESCCc1ccc([C@H](C)NC(=O)NC2CCN(CC(=O)NC)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-4-15-5-7-16(8-6-15)14(2)21-19(25)22-17-9-11-23(12-10-17)13-18(24)20-3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1
InChIKeyVYBBJKSUUQFSKN-AWEZNQCLSA-N
XLogP1.82
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
2-[4-[1-(3-bromophenyl)ethylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 55629444
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
CID 109390055
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 112819934
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide (CID 94796883) is 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is CCc1ccc([C@H](C)NC(=O)NC2CCN(CC(=O)NC)CC2)cc1.
What is the InChIKey of 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VYBBJKSUUQFSKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-15-5-7-16(8-6-15)14(2)21-19(25)22-17-9-11-23(12-10-17)13-18(24)20-3/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,24)(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 346.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 94796883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).