3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide

C21H27N5O — CID 134081045

IUPAC3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCC1CCCN(c2ccccn2)C1)C1CNNC1c1ccccc1
InChIInChI=1S/C21H27N5O/c27-21(18-14-24-25-20(18)17-8-2-1-3-9-17)23-13-16-7-6-12-26(15-16)19-10-4-5-11-22-19/h1-5,8-11,16,18,20,24-25H,6-7,12-15H2,(H,23,27)
InChIKeyWGIIOYKNSRJJGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.88
Rot. Bonds5

About 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide

3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134081045) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID134081045
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide
SMILESO=C(NCC1CCCN(c2ccccn2)C1)C1CNNC1c1ccccc1
InChIInChI=1S/C21H27N5O/c27-21(18-14-24-25-20(18)17-8-2-1-3-9-17)23-13-16-7-6-12-26(15-16)19-10-4-5-11-22-19/h1-5,8-11,16,18,20,24-25H,6-7,12-15H2,(H,23,27)
InChIKeyWGIIOYKNSRJJGI-UHFFFAOYSA-N
XLogP1.88
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
2-(benzotriazol-2-yl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]acetamide
CID 91779081
1-(2-methoxyacetyl)-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
CID 72923083
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
1-methyl-2,4-dioxo-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 90648225
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 91760004
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide (CID 134081045) is 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide is O=C(NCC1CCCN(c2ccccn2)C1)C1CNNC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is WGIIOYKNSRJJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(18-14-24-25-20(18)17-8-2-1-3-9-17)23-13-16-7-6-12-26(15-16)19-10-4-5-11-22-19/h1-5,8-11,16,18,20,24-25H,6-7,12-15H2,(H,23,27).
What are the key properties of 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide?
3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134081045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).