N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide

C17H25ClN4O2 — CID 134127827

IUPACN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)NCC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,13,15,17,20-21,23H,1-2,7-11H2,(H,19,24)
InChIKeyFPFUIEGSHRSDTO-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.68
Rot. Bonds5

About N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide

N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 134127827) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID134127827
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCCC(O)C1)NCC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,13,15,17,20-21,23H,1-2,7-11H2,(H,19,24)
InChIKeyFPFUIEGSHRSDTO-UHFFFAOYSA-N
XLogP0.68
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99953823
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
2-[1-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-N-methylacetamide
CID 75594509
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 74548344
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 86333617
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
N-(5-chloro-2-nitrophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877774
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide (CID 134127827) is N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide is O=C(CN1CCCC(O)C1)NCC1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is FPFUIEGSHRSDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c18-14-5-3-12(4-6-14)17-13(9-20-21-17)8-19-16(24)11-22-7-1-2-15(23)10-22/h3-6,13,15,17,20-21,23H,1-2,7-11H2,(H,19,24).
What are the key properties of N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide?
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 352.87 g/mol, XLogP of 0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 134127827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).