N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide

C14H21ClN4O — CID 163357525

IUPACN-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)12(20)18-11-5-4-6-19(9-11)13-16-7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyAWHORGSNHOTCLW-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.26
Rot. Bonds2

About N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide

N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 163357525) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID163357525
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C14H21ClN4O/c1-14(2,3)12(20)18-11-5-4-6-19(9-11)13-16-7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyAWHORGSNHOTCLW-UHFFFAOYSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
N-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357365
2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 163357546
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 165437493
tert-butyl N-[1-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 71970942
tert-butyl N-[(3S)-1-(5-iodopyrimidin-2-yl)piperidin-3-yl]carbamate
CID 171390444
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
tert-butyl N-[[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]methyl]carbamate
CID 71632288
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide (CID 163357525) is N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is AWHORGSNHOTCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-14(2,3)12(20)18-11-5-4-6-19(9-11)13-16-7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163357525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).