N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide

C17H26N4O — CID 163357564

IUPACN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,3)16(22)19-13-5-4-10-21(11-13)14-8-9-18-15(20-14)12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyQYQNQKJMBOVURM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 163357564) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID163357564
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ccnc(C3CC3)n2)C1
InChIInChI=1S/C17H26N4O/c1-17(2,3)16(22)19-13-5-4-10-21(11-13)14-8-9-18-15(20-14)12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeyQYQNQKJMBOVURM-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

2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 163357546
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
tert-butyl N-[(3S)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 86329125
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
CID 129339680
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 163348936
N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 75474232
2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
CID 163356401
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 95735597

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 163357564) is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCCN(c2ccnc(C3CC3)n2)C1.
What is the InChIKey of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is QYQNQKJMBOVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)16(22)19-13-5-4-10-21(11-13)14-8-9-18-15(20-14)12-6-7-12/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide 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-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).