N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C27H32N4O2 — CID 24790272

IUPACN-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1
InChIInChI=1S/C27H32N4O2/c1-3-6-26-28-16-20(17-29-26)18-31-14-5-8-23(19-31)27(32)30-24-12-10-21(11-13-24)22-7-4-9-25(15-22)33-2/h4,7,9-13,15-17,23H,3,5-6,8,14,18-19H2,1-2H3,(H,30,32)
InChIKeyPVOMHWQKAKFWDU-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.96
Rot. Bonds8

About N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 24790272) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
PubChem CID24790272
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1
InChIInChI=1S/C27H32N4O2/c1-3-6-26-28-16-20(17-29-26)18-31-14-5-8-23(19-31)27(32)30-24-12-10-21(11-13-24)22-7-4-9-25(15-22)33-2/h4,7,9-13,15-17,23H,3,5-6,8,14,18-19H2,1-2H3,(H,30,32)
InChIKeyPVOMHWQKAKFWDU-UHFFFAOYSA-N
XLogP4.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 24790272) is N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is CCCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PVOMHWQKAKFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-6-26-28-16-20(17-29-26)18-31-14-5-8-23(19-31)27(32)30-24-12-10-21(11-13-24)22-7-4-9-25(15-22)33-2/h4,7,9-13,15-17,23H,3,5-6,8,14,18-19H2,1-2H3,(H,30,32).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).