N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide

C17H26N4O — CID 134127510

IUPACN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CNNC2)(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O/c1-21-9-7-17(8-10-21,15-5-3-2-4-6-15)13-18-16(22)14-11-19-20-12-14/h2-6,14,19-20H,7-13H2,1H3,(H,18,22)
InChIKeyOAGFZMAKKIVUPD-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.49
Rot. Bonds4

About N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134127510) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID134127510
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CNNC2)(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O/c1-21-9-7-17(8-10-21,15-5-3-2-4-6-15)13-18-16(22)14-11-19-20-12-14/h2-6,14,19-20H,7-13H2,1H3,(H,18,22)
InChIKeyOAGFZMAKKIVUPD-UHFFFAOYSA-N
XLogP0.49
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]pyrazolidine-4-carboxamide
CID 134128013
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]cyclobutanecarboxamide
CID 110159910
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide (CID 134127510) is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide is CN1CCC(CNC(=O)C2CNNC2)(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is OAGFZMAKKIVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-21-9-7-17(8-10-21,15-5-3-2-4-6-15)13-18-16(22)14-11-19-20-12-14/h2-6,14,19-20H,7-13H2,1H3,(H,18,22).
What are the key properties of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide?
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134127510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).