3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide

C27H29N3O2 — CID 121108656

IUPAC3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C27H29N3O2/c31-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)29-20-21-13-17-30(18-14-21)27(32)24-11-15-28-16-12-24/h1-12,15-16,21,25H,13-14,17-20H2,(H,29,31)
InChIKeyGJTFRRKVRZJUEJ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.27
Rot. Bonds7

About 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide

3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 121108656) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID121108656
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C27H29N3O2/c31-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)29-20-21-13-17-30(18-14-21)27(32)24-11-15-28-16-12-24/h1-12,15-16,21,25H,13-14,17-20H2,(H,29,31)
InChIKeyGJTFRRKVRZJUEJ-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786306
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
N'-(2-fluorophenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107584
3-(1-benzoylpiperidin-4-yl)-N-(cyclohexylmethyl)propanamide
CID 91913388
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide (CID 121108656) is 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is GJTFRRKVRZJUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c31-26(19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)29-20-21-13-17-30(18-14-21)27(32)24-11-15-28-16-12-24/h1-12,15-16,21,25H,13-14,17-20H2,(H,29,31).
What are the key properties of 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide?
3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 427.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 121108656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).