N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C17H27N5O2 — CID 91921475

IUPACN-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CCn3cccn3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-18-17(24)20-9-3-14(4-10-20)15-5-11-21(13-15)16(23)6-12-22-8-2-7-19-22/h2,7-8,14-15H,3-6,9-13H2,1H3,(H,18,24)
InChIKeyJMMDCAVLPDRTFA-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.17
Rot. Bonds4

About N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921475) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921475
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)CCn3cccn3)C2)CC1
InChIInChI=1S/C17H27N5O2/c1-18-17(24)20-9-3-14(4-10-20)15-5-11-21(13-15)16(23)6-12-22-8-2-7-19-22/h2,7-8,14-15H,3-6,9-13H2,1H3,(H,18,24)
InChIKeyJMMDCAVLPDRTFA-UHFFFAOYSA-N
XLogP1.17
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921475) is N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)CCn3cccn3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is JMMDCAVLPDRTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-18-17(24)20-9-3-14(4-10-20)15-5-11-21(13-15)16(23)6-12-22-8-2-7-19-22/h2,7-8,14-15H,3-6,9-13H2,1H3,(H,18,24).
What are the key properties of N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).