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

C16H25N5O2 — CID 91921372

IUPACN-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-17-16(23)20-6-3-12(4-7-20)13-5-8-21(11-13)15(22)14-9-18-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,23)
InChIKeyLWBRQMZAKQWIDQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.93
Rot. Bonds2

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

N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921372) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921372
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-17-16(23)20-6-3-12(4-7-20)13-5-8-21(11-13)15(22)14-9-18-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,23)
InChIKeyLWBRQMZAKQWIDQ-UHFFFAOYSA-N
XLogP0.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.93
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-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921372) is N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is LWBRQMZAKQWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-17-16(23)20-6-3-12(4-7-20)13-5-8-21(11-13)15(22)14-9-18-19(2)10-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,17,23).
What are the key properties of N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).