1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

C25H29N5O — CID 134802244

IUPAC1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(Nc2ccnc(N3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C25H29N5O/c1-19-9-11-22(12-10-19)28-23-14-16-27-25(29-23)30-17-5-8-21(18-30)24(31)26-15-13-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,16,21H,5,8,13,15,17-18H2,1H3,(H,26,31)(H,27,28,29)
InChIKeyXNQPBCBAQZPMJB-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.10
Rot. Bonds7

About 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 134802244) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID134802244
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1ccc(Nc2ccnc(N3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1
InChIInChI=1S/C25H29N5O/c1-19-9-11-22(12-10-19)28-23-14-16-27-25(29-23)30-17-5-8-21(18-30)24(31)26-15-13-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,16,21H,5,8,13,15,17-18H2,1H3,(H,26,31)(H,27,28,29)
InChIKeyXNQPBCBAQZPMJB-UHFFFAOYSA-N
XLogP4.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 134800218
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-[(2-chlorophenyl)methyl]-1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134797699
1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134799744
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161
N-(cycloheptylmethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134800003
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085637

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 134802244) is 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1ccc(Nc2ccnc(N3CCCC(C(=O)NCCc4ccccc4)C3)n2)cc1.
What is the InChIKey of 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is XNQPBCBAQZPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-19-9-11-22(12-10-19)28-23-14-16-27-25(29-23)30-17-5-8-21(18-30)24(31)26-15-13-20-6-3-2-4-7-20/h2-4,6-7,9-12,14,16,21H,5,8,13,15,17-18H2,1H3,(H,26,31)(H,27,28,29).
What are the key properties of 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 134802244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).