N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide

C18H27ClN4O2 — CID 118768790

IUPACN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C18H27ClN4O2/c1-22(2)18(25)21-13-17(24)20-12-16(23-10-4-3-5-11-23)14-6-8-15(19)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOSHKIONYHBBGPC-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide

N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide (PubChem CID 118768790) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
PubChem CID118768790
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
SMILESCN(C)C(=O)NCC(=O)NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C18H27ClN4O2/c1-22(2)18(25)21-13-17(24)20-12-16(23-10-4-3-5-11-23)14-6-8-15(19)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyOSHKIONYHBBGPC-UHFFFAOYSA-N
XLogP2.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
3-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 112507277
2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 7496263
3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-1,1-dimethylurea
CID 112503903
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125174182
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide (CID 118768790) is N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide is CN(C)C(=O)NCC(=O)NCC(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide?
The InChIKey is OSHKIONYHBBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-22(2)18(25)21-13-17(24)20-12-16(23-10-4-3-5-11-23)14-6-8-15(19)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide?
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide has a molecular weight of 366.89 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide is sourced from PubChem (CID 118768790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).