3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide

C25H30N4O — CID 45208830

IUPAC3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C25H30N4O/c30-25(14-11-21-6-2-1-3-7-21)26-18-23-8-4-16-28(20-23)19-22-9-12-24(13-10-22)29-17-5-15-27-29/h1-3,5-7,9-10,12-13,15,17,23H,4,8,11,14,16,18-20H2,(H,26,30)
InChIKeyOAVFQBUNNXJICK-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.83
Rot. Bonds8

About 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide

3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide (PubChem CID 45208830) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
PubChem CID45208830
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccccc1)NCC1CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C25H30N4O/c30-25(14-11-21-6-2-1-3-7-21)26-18-23-8-4-16-28(20-23)19-22-9-12-24(13-10-22)29-17-5-15-27-29/h1-3,5-7,9-10,12-13,15,17,23H,4,8,11,14,16,18-20H2,(H,26,30)
InChIKeyOAVFQBUNNXJICK-UHFFFAOYSA-N
XLogP3.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 49215262
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 52521591
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide (CID 45208830) is 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide is O=C(CCc1ccccc1)NCC1CCCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide?
The InChIKey is OAVFQBUNNXJICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-25(14-11-21-6-2-1-3-7-21)26-18-23-8-4-16-28(20-23)19-22-9-12-24(13-10-22)29-17-5-15-27-29/h1-3,5-7,9-10,12-13,15,17,23H,4,8,11,14,16,18-20H2,(H,26,30).
What are the key properties of 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide?
3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 45208830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).