N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide

C20H31N3O2 — CID 133133229

IUPACN-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-16(24)21-18-8-6-17(7-9-18)14-22-13-10-19(20(25)15-22)23-11-4-2-3-5-12-23/h6-9,19-20,25H,2-5,10-15H2,1H3,(H,21,24)/t19-,20-/m0/s1
InChIKeyDYCFRTAYNFGSBT-PMACEKPBSA-N
MW345.49 g/mol
LogP2.46
Rot. Bonds4

About N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 133133229) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
PubChem CID133133229
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1
InChIInChI=1S/C20H31N3O2/c1-16(24)21-18-8-6-17(7-9-18)14-22-13-10-19(20(25)15-22)23-11-4-2-3-5-12-23/h6-9,19-20,25H,2-5,10-15H2,1H3,(H,21,24)/t19-,20-/m0/s1
InChIKeyDYCFRTAYNFGSBT-PMACEKPBSA-N
XLogP2.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42527282
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 46976904
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
N-[4-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]phenyl]acetamide
CID 95856939

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide (CID 133133229) is N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC[C@H](N3CCCCCC3)[C@@H](O)C2)cc1.
What is the InChIKey of N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is DYCFRTAYNFGSBT-PMACEKPBSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16(24)21-18-8-6-17(7-9-18)14-22-13-10-19(20(25)15-22)23-11-4-2-3-5-12-23/h6-9,19-20,25H,2-5,10-15H2,1H3,(H,21,24)/t19-,20-/m0/s1.
What are the key properties of N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 133133229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).