N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide

C14H19ClN4O — CID 172890939

IUPACN-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C14H19ClN4O/c1-18(14(20)10-2-3-10)11-4-6-19(7-5-11)13-12(15)8-16-9-17-13/h8-11H,2-7H2,1H3
InChIKeyPHRGNFGEBOETJZ-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide

N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (PubChem CID 172890939) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
PubChem CID172890939
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C14H19ClN4O/c1-18(14(20)10-2-3-10)11-4-6-19(7-5-11)13-12(15)8-16-9-17-13/h8-11H,2-7H2,1H3
InChIKeyPHRGNFGEBOETJZ-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335489
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
1-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-2-(diethylamino)ethanone
CID 133481333
4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 126804573
5-chloro-4-[4-(2-chloroethoxy)piperidin-1-yl]pyrimidine
CID 105370712
methyl 4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 114214390
N-[1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171326539
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide (CID 172890939) is N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCN(c2ncncc2Cl)CC1.
What is the InChIKey of N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is PHRGNFGEBOETJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-18(14(20)10-2-3-10)11-4-6-19(7-5-11)13-12(15)8-16-9-17-13/h8-11H,2-7H2,1H3.
What are the key properties of N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide?
N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 172890939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).