1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

C14H21ClN4O — CID 103197446

IUPAC1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)7-12(18-13)19-6-4-5-10(8-19)14(20)16-3/h7,9-10H,4-6,8H2,1-3H3,(H,16,20)
InChIKeySLIKZUGTNYYHKZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.22
Rot. Bonds3

About 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103197446) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103197446
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)7-12(18-13)19-6-4-5-10(8-19)14(20)16-3/h7,9-10H,4-6,8H2,1-3H3,(H,16,20)
InChIKeySLIKZUGTNYYHKZ-UHFFFAOYSA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 103197437
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 80960978
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198582
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
ethyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 60651536
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (CID 103197446) is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(Cl)nc(C(C)C)n2)C1.
What is the InChIKey of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is SLIKZUGTNYYHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)7-12(18-13)19-6-4-5-10(8-19)14(20)16-3/h7,9-10H,4-6,8H2,1-3H3,(H,16,20).
What are the key properties of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).