N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide

C20H30ClN3O — CID 125158955

IUPACN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C20H30ClN3O/c21-18-8-6-17(7-9-18)19(24-13-4-5-14-24)16-22-20(25)10-15-23-11-2-1-3-12-23/h6-9,19H,1-5,10-16H2,(H,22,25)/t19-/m1/s1
InChIKeyYFULYXBIMNVVOL-LJQANCHMSA-N
MW363.93 g/mol
LogP3.47
Rot. Bonds7

About N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide (PubChem CID 125158955) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
PubChem CID125158955
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C20H30ClN3O/c21-18-8-6-17(7-9-18)19(24-13-4-5-14-24)16-22-20(25)10-15-23-11-2-1-3-12-23/h6-9,19H,1-5,10-16H2,(H,22,25)/t19-/m1/s1
InChIKeyYFULYXBIMNVVOL-LJQANCHMSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 125445949
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
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
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
CID 118773901
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 125174182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide (CID 125158955) is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NC[C@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide?
The InChIKey is YFULYXBIMNVVOL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30ClN3O/c21-18-8-6-17(7-9-18)19(24-13-4-5-14-24)16-22-20(25)10-15-23-11-2-1-3-12-23/h6-9,19H,1-5,10-16H2,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide?
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide has a molecular weight of 363.93 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 125158955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).