N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C20H33N5O — CID 56877657

IUPACN-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)N(Cc3cnn(C)c3)C3CC3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-22-10-7-18(8-11-22)24-9-3-4-17(15-24)20(26)25(19-5-6-19)14-16-12-21-23(2)13-16/h12-13,17-19H,3-11,14-15H2,1-2H3
InChIKeyDRPWMDRVLHDBEE-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.72
Rot. Bonds5

About N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 56877657) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID56877657
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCCC(C(=O)N(Cc3cnn(C)c3)C3CC3)C2)CC1
InChIInChI=1S/C20H33N5O/c1-22-10-7-18(8-11-22)24-9-3-4-17(15-24)20(26)25(19-5-6-19)14-16-12-21-23(2)13-16/h12-13,17-19H,3-11,14-15H2,1-2H3
InChIKeyDRPWMDRVLHDBEE-UHFFFAOYSA-N
XLogP1.72
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 56877657) is N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CN1CCC(N2CCCC(C(=O)N(Cc3cnn(C)c3)C3CC3)C2)CC1.
What is the InChIKey of N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DRPWMDRVLHDBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-22-10-7-18(8-11-22)24-9-3-4-17(15-24)20(26)25(19-5-6-19)14-16-12-21-23(2)13-16/h12-13,17-19H,3-11,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56877657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).