2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide

C18H27ClN4O — CID 75594509

IUPAC2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(CC2CNNC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN4O/c1-20-17(24)10-13-6-8-23(9-7-13)12-15-11-21-22-18(15)14-2-4-16(19)5-3-14/h2-5,13,15,18,21-22H,6-12H2,1H3,(H,20,24)
InChIKeyNZFWHNVIKLICKR-UHFFFAOYSA-N
MW350.89 g/mol
LogP1.95
Rot. Bonds5

About 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide

2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 75594509) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID75594509
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(CC2CNNC2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN4O/c1-20-17(24)10-13-6-8-23(9-7-13)12-15-11-21-22-18(15)14-2-4-16(19)5-3-14/h2-5,13,15,18,21-22H,6-12H2,1H3,(H,20,24)
InChIKeyNZFWHNVIKLICKR-UHFFFAOYSA-N
XLogP1.95
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 134127827
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylacetamide
CID 91648633
(4aS,8aS)-2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 133124831
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 74548344
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-methylacetamide
CID 11301852
N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
1-[(3aR,6aR)-5-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-methylbutan-1-one
CID 133130403
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153
5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 75099053
N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
CID 50968311
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-methylacetamide
CID 11439307
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide (CID 75594509) is 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(CC2CNNC2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is NZFWHNVIKLICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O/c1-20-17(24)10-13-6-8-23(9-7-13)12-15-11-21-22-18(15)14-2-4-16(19)5-3-14/h2-5,13,15,18,21-22H,6-12H2,1H3,(H,20,24).
What are the key properties of 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide?
2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 350.89 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 75594509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).