4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide

C23H29N3O2 — CID 166190743

IUPAC4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H29N3O2/c27-22(23(10-16-28-17-11-23)20-4-2-1-3-5-20)25-21-8-14-26(15-9-21)18-19-6-12-24-13-7-19/h1-7,12-13,21H,8-11,14-18H2,(H,25,27)
InChIKeyNFKJWMSUVZBMBX-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.91
Rot. Bonds5

About 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide

4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide (PubChem CID 166190743) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
PubChem CID166190743
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H29N3O2/c27-22(23(10-16-28-17-11-23)20-4-2-1-3-5-20)25-21-8-14-26(15-9-21)18-19-6-12-24-13-7-19/h1-7,12-13,21H,8-11,14-18H2,(H,25,27)
InChIKeyNFKJWMSUVZBMBX-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
1-[(1-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 51122194
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 112822610
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide (CID 166190743) is 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide?
The InChIKey is NFKJWMSUVZBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(23(10-16-28-17-11-23)20-4-2-1-3-5-20)25-21-8-14-26(15-9-21)18-19-6-12-24-13-7-19/h1-7,12-13,21H,8-11,14-18H2,(H,25,27).
What are the key properties of 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide?
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 166190743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).