N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C15H23N5O2 — CID 91921353

IUPACN-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C15H23N5O2/c1-16-15(22)19-5-2-11(3-6-19)12-4-7-20(10-12)14(21)13-8-17-18-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,16,22)(H,17,18)
InChIKeyHJAKJFDKKMQDSL-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds2

About N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921353) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921353
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1
InChIInChI=1S/C15H23N5O2/c1-16-15(22)19-5-2-11(3-6-19)12-4-7-20(10-12)14(21)13-8-17-18-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,16,22)(H,17,18)
InChIKeyHJAKJFDKKMQDSL-UHFFFAOYSA-N
XLogP0.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921353) is N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3cn[nH]c3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is HJAKJFDKKMQDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-16-15(22)19-5-2-11(3-6-19)12-4-7-20(10-12)14(21)13-8-17-18-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,16,22)(H,17,18).
What are the key properties of N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).