N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide

C27H30FN3O — CID 92574646

IUPACN-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C27H30FN3O/c28-24-14-11-22(12-15-24)19-31-18-6-9-23(20-31)27(25-10-4-5-17-29-25)30-26(32)16-13-21-7-2-1-3-8-21/h1-5,7-8,10-12,14-15,17,23,27H,6,9,13,16,18-20H2,(H,30,32)/t23-,27+/m0/s1
InChIKeySSJNHGFHPCFYQM-WNCULLNHSA-N
MW431.56 g/mol
LogP4.92
Rot. Bonds8

About N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide

N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide (PubChem CID 92574646) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
PubChem CID92574646
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC NameN-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C27H30FN3O/c28-24-14-11-22(12-15-24)19-31-18-6-9-23(20-31)27(25-10-4-5-17-29-25)30-26(32)16-13-21-7-2-1-3-8-21/h1-5,7-8,10-12,14-15,17,23,27H,6,9,13,16,18-20H2,(H,30,32)/t23-,27+/m0/s1
InChIKeySSJNHGFHPCFYQM-WNCULLNHSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 110229251
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 110228766
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
2-methoxy-N-[(S)-[(3S)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92610896
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 110228772
N-[(S)-[(3R)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methoxypropanamide
CID 92611083

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide?
The IUPAC name of N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide (CID 92574646) is N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide?
The InChIKey is SSJNHGFHPCFYQM-WNCULLNHSA-N. The full InChI is InChI=1S/C27H30FN3O/c28-24-14-11-22(12-15-24)19-31-18-6-9-23(20-31)27(25-10-4-5-17-29-25)30-26(32)16-13-21-7-2-1-3-8-21/h1-5,7-8,10-12,14-15,17,23,27H,6,9,13,16,18-20H2,(H,30,32)/t23-,27+/m0/s1.
What are the key properties of N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide?
N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide has a molecular weight of 431.56 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide is sourced from PubChem (CID 92574646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).