N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C23H31N3O — CID 92581839

IUPACN-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)N[C@H](c1ccccn1)C1CCN(CC[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-18(20-8-4-3-5-9-20)11-15-26-16-12-21(13-17-26)23(25-19(2)27)22-10-6-7-14-24-22/h3-10,14,18,21,23H,11-13,15-17H2,1-2H3,(H,25,27)/t18-,23-/m0/s1
InChIKeySOLADNXPSBPMSJ-MBSDFSHPSA-N
MW365.52 g/mol
LogP4.16
Rot. Bonds7

About N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92581839) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92581839
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)N[C@H](c1ccccn1)C1CCN(CC[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-18(20-8-4-3-5-9-20)11-15-26-16-12-21(13-17-26)23(25-19(2)27)22-10-6-7-14-24-22/h3-10,14,18,21,23H,11-13,15-17H2,1-2H3,(H,25,27)/t18-,23-/m0/s1
InChIKeySOLADNXPSBPMSJ-MBSDFSHPSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92581839) is N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is CC(=O)N[C@H](c1ccccn1)C1CCN(CC[C@H](C)c2ccccc2)CC1.
What is the InChIKey of N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is SOLADNXPSBPMSJ-MBSDFSHPSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(20-8-4-3-5-9-20)11-15-26-16-12-21(13-17-26)23(25-19(2)27)22-10-6-7-14-24-22/h3-10,14,18,21,23H,11-13,15-17H2,1-2H3,(H,25,27)/t18-,23-/m0/s1.
What are the key properties of N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[(3S)-3-phenylbutyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92581839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).