2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide

C16H23ClN4O2 — CID 125445207

IUPAC2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H23ClN4O2/c17-13-6-4-12(5-7-13)14(21-8-2-1-3-9-21)10-19-16(23)20-11-15(18)22/h4-7,14H,1-3,8-11H2,(H2,18,22)(H2,19,20,23)/t14-/m1/s1
InChIKeyOXRGLTDYJAJUGU-CQSZACIVSA-N
MW338.84 g/mol
LogP1.65
Rot. Bonds6

About 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide

2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide (PubChem CID 125445207) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
PubChem CID125445207
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H23ClN4O2/c17-13-6-4-12(5-7-13)14(21-8-2-1-3-9-21)10-19-16(23)20-11-15(18)22/h4-7,14H,1-3,8-11H2,(H2,18,22)(H2,19,20,23)/t14-/m1/s1
InChIKeyOXRGLTDYJAJUGU-CQSZACIVSA-N
XLogP1.65
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 122563662
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
CID 166594815
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 126448414

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide?
The IUPAC name of 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide (CID 125445207) is 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide?
The canonical SMILES for 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide is NC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide?
The InChIKey is OXRGLTDYJAJUGU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c17-13-6-4-12(5-7-13)14(21-8-2-1-3-9-21)10-19-16(23)20-11-15(18)22/h4-7,14H,1-3,8-11H2,(H2,18,22)(H2,19,20,23)/t14-/m1/s1.
What are the key properties of 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide?
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide has a molecular weight of 338.84 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide is sourced from PubChem (CID 125445207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).