N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C19H24N4O — CID 166626990

IUPACN-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-3-22(2)19(24)16-9-11-23(12-10-16)17-13-20-14-21-18(17)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyZAWNRWWYQBQHTI-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 166626990) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID166626990
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C19H24N4O/c1-3-22(2)19(24)16-9-11-23(12-10-16)17-13-20-14-21-18(17)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3
InChIKeyZAWNRWWYQBQHTI-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
CID 155289198
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidin-5-yl)propanamide
CID 9873032
2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
N-(4-{5-[4-(butanoylamino)phenyl]pyrimidin-2-yl}phenyl)butanamide
CID 1272696
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 67
CID 5330253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 166626990) is N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is CCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is ZAWNRWWYQBQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-22(2)19(24)16-9-11-23(12-10-16)17-13-20-14-21-18(17)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166626990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).