2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide

C31H47N3O2 — CID 141228600

IUPAC2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide
SMILESCC(CO)NCCCCCCCCCN1CCC(c2ccccc2C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C31H47N3O2/c1-25(24-35)33-20-12-5-3-2-4-6-13-21-34-22-18-26(19-23-34)28-16-10-11-17-29(28)30(31(32)36)27-14-8-7-9-15-27/h7-11,14-17,25-26,30,33,35H,2-6,12-13,18-24H2,1H3,(H2,32,36)
InChIKeyLDJCKVKTTSFFNE-UHFFFAOYSA-N
MW493.74 g/mol
LogP5.18
Rot. Bonds16

About 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide

2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide (PubChem CID 141228600) has the molecular formula C31H47N3O2 and a molecular weight of 493.74 g/mol. Its IUPAC name is 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide
PubChem CID141228600
Molecular FormulaC31H47N3O2
Molecular Weight493.74 g/mol
Exact Mass493.37
IUPAC Name2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide
SMILESCC(CO)NCCCCCCCCCN1CCC(c2ccccc2C(C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C31H47N3O2/c1-25(24-35)33-20-12-5-3-2-4-6-13-21-34-22-18-26(19-23-34)28-16-10-11-17-29(28)30(31(32)36)27-14-8-7-9-15-27/h7-11,14-17,25-26,30,33,35H,2-6,12-13,18-24H2,1H3,(H2,32,36)
InChIKeyLDJCKVKTTSFFNE-UHFFFAOYSA-N
XLogP5.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.74
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]piperidin-4-yl]-2,2-diphenylacetamide
CID 11306465
2-[(3R)-1-[9-(1-hydroxypropan-2-ylamino)nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11260152
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434
2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetamide
CID 79982650
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
CID 141092517
N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
6-[4-(2-chlorophenyl)piperidin-1-yl]hexan-1-ol
CID 97355587
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
CID 69028746
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide (CID 141228600) is 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide is CC(CO)NCCCCCCCCCN1CCC(c2ccccc2C(C(N)=O)c2ccccc2)CC1.
What is the InChIKey of 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The InChIKey is LDJCKVKTTSFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N3O2/c1-25(24-35)33-20-12-5-3-2-4-6-13-21-34-22-18-26(19-23-34)28-16-10-11-17-29(28)30(31(32)36)27-14-8-7-9-15-27/h7-11,14-17,25-26,30,33,35H,2-6,12-13,18-24H2,1H3,(H2,32,36).
What are the key properties of 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide has a molecular weight of 493.74 g/mol, XLogP of 5.18, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 141228600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).