N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide

C21H30N4O2 — CID 97344150

IUPACN-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)C1CC1
InChIInChI=1S/C21H30N4O2/c1-22(17-9-10-17)20(26)16-23-12-14-24(15-13-23)19-8-5-11-25(21(19)27)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3/t19-/m0/s1
InChIKeyOETOYFZRGHOAQG-IBGZPJMESA-N
MW370.50 g/mol
LogP1.42
Rot. Bonds5

About N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide

N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide (PubChem CID 97344150) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
PubChem CID97344150
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)C1CC1
InChIInChI=1S/C21H30N4O2/c1-22(17-9-10-17)20(26)16-23-12-14-24(15-13-23)19-8-5-11-25(21(19)27)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3/t19-/m0/s1
InChIKeyOETOYFZRGHOAQG-IBGZPJMESA-N
XLogP1.42
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-[(3R)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97317126
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide
CID 97214073
(3S)-3-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-1-phenylpiperidin-2-one
CID 124856267
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
3-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]-1-phenylpiperidin-2-one
CID 75474297
3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-phenylpiperidin-2-one
CID 86959079
3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 60519085
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120562652
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
CID 95298972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide (CID 97344150) is N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide is CN(C(=O)CN1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is OETOYFZRGHOAQG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H30N4O2/c1-22(17-9-10-17)20(26)16-23-12-14-24(15-13-23)19-8-5-11-25(21(19)27)18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3/t19-/m0/s1.
What are the key properties of N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide?
N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 370.50 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 97344150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).