1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

C26H30N4O2 — CID 53107338

IUPAC1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-2-16-32-24-10-8-20(9-11-24)17-27-25(31)22-12-14-30(15-13-22)26-28-18-23(19-29-26)21-6-4-3-5-7-21/h3-11,18-19,22H,2,12-17H2,1H3,(H,27,31)
InChIKeyFSZRBDHGHVRPQZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.47
Rot. Bonds8

About 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide

1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 53107338) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID53107338
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-2-16-32-24-10-8-20(9-11-24)17-27-25(31)22-12-14-30(15-13-22)26-28-18-23(19-29-26)21-6-4-3-5-7-21/h3-11,18-19,22H,2,12-17H2,1H3,(H,27,31)
InChIKeyFSZRBDHGHVRPQZ-UHFFFAOYSA-N
XLogP4.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
N-[(2-methylphenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107339
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46358567
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46857738
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
1-[6-(4-ethylphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 53367115
(3S)-1-(6-phenylpyridazin-3-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 93055655
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
CID 157018162

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide (CID 53107338) is 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is CCCOc1ccc(CNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)cc1.
What is the InChIKey of 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FSZRBDHGHVRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-2-16-32-24-10-8-20(9-11-24)17-27-25(31)22-12-14-30(15-13-22)26-28-18-23(19-29-26)21-6-4-3-5-7-21/h3-11,18-19,22H,2,12-17H2,1H3,(H,27,31).
What are the key properties of 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide?
1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpyrimidin-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53107338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).