1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide

C18H23N5O — CID 162637727

IUPAC1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(-c2ccnc(N3CCCC(C(N)=O)C3)n2)cc1
InChIInChI=1S/C18H23N5O/c1-22(2)15-7-5-13(6-8-15)16-9-10-20-18(21-16)23-11-3-4-14(12-23)17(19)24/h5-10,14H,3-4,11-12H2,1-2H3,(H2,19,24)
InChIKeyLPXNYXHOGCBHRW-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.91
Rot. Bonds4

About 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide

1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 162637727) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID162637727
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCN(C)c1ccc(-c2ccnc(N3CCCC(C(N)=O)C3)n2)cc1
InChIInChI=1S/C18H23N5O/c1-22(2)15-7-5-13(6-8-15)16-9-10-20-18(21-16)23-11-3-4-14(12-23)17(19)24/h5-10,14H,3-4,11-12H2,1-2H3,(H2,19,24)
InChIKeyLPXNYXHOGCBHRW-UHFFFAOYSA-N
XLogP1.91
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 162626102
1-[4-[2-(dimethylamino)ethylamino]pyrimidin-2-yl]piperidine-3-carboxamide
CID 66903414
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95082401
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
ethyl 1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 171989237
ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731
1-(4-carbamothioylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 114081983
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3R,3aS,6aR)-5-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]-N,N-dimethyl-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 162625926
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 163305455
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide (CID 162637727) is 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide is CN(C)c1ccc(-c2ccnc(N3CCCC(C(N)=O)C3)n2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is LPXNYXHOGCBHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(2)15-7-5-13(6-8-15)16-9-10-20-18(21-16)23-11-3-4-14(12-23)17(19)24/h5-10,14H,3-4,11-12H2,1-2H3,(H2,19,24).
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide?
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 162637727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).