N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C14H20N4O — CID 3223208

IUPACN-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H20N4O/c1-10-4-7-15-14(16-10)18-8-5-11(6-9-18)13(19)17-12-2-3-12/h4,7,11-12H,2-3,5-6,8-9H2,1H3,(H,17,19)
InChIKeyPQUAJTPIGPKDKZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds3

About N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223208) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223208
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H20N4O/c1-10-4-7-15-14(16-10)18-8-5-11(6-9-18)13(19)17-12-2-3-12/h4,7,11-12H,2-3,5-6,8-9H2,1H3,(H,17,19)
InChIKeyPQUAJTPIGPKDKZ-UHFFFAOYSA-N
XLogP1.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223208) is N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NC3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is PQUAJTPIGPKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-4-7-15-14(16-10)18-8-5-11(6-9-18)13(19)17-12-2-3-12/h4,7,11-12H,2-3,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).