N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide

C17H26N4O — CID 165434399

IUPACN-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,3)20-16(22)13-5-4-8-21(10-13)15-9-14(12-6-7-12)18-11-19-15/h9,11-13H,4-8,10H2,1-3H3,(H,20,22)
InChIKeyMWBWSKRZULXZJW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds3

About N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide

N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 165434399) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID165434399
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,3)20-16(22)13-5-4-8-21(10-13)15-9-14(12-6-7-12)18-11-19-15/h9,11-13H,4-8,10H2,1-3H3,(H,20,22)
InChIKeyMWBWSKRZULXZJW-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 99873086
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 166602271
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide (CID 165434399) is N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MWBWSKRZULXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)20-16(22)13-5-4-8-21(10-13)15-9-14(12-6-7-12)18-11-19-15/h9,11-13H,4-8,10H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide?
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 165434399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).