[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone

C23H35N3O2 — CID 56861468

IUPAC[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCOCC1
InChIInChI=1S/C23H35N3O2/c27-23(25-12-5-16-28-17-15-25)21-8-4-11-26(19-21)22-9-13-24(14-10-22)18-20-6-2-1-3-7-20/h1-3,6-7,21-22H,4-5,8-19H2
InChIKeyIVYWPQVLHIHMAQ-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.61
Rot. Bonds4

About [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone

[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 56861468) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
PubChem CID56861468
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCOCC1
InChIInChI=1S/C23H35N3O2/c27-23(25-12-5-16-28-17-15-25)21-8-4-11-26(19-21)22-9-13-24(14-10-22)18-20-6-2-1-3-7-20/h1-3,6-7,21-22H,4-5,8-19H2
InChIKeyIVYWPQVLHIHMAQ-UHFFFAOYSA-N
XLogP2.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3S)-1-[1-(furan-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 96577944
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone (CID 56861468) is [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone is O=C(C1CCCN(C2CCN(Cc3ccccc3)CC2)C1)N1CCCOCC1.
What is the InChIKey of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone?
The InChIKey is IVYWPQVLHIHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c27-23(25-12-5-16-28-17-15-25)21-8-4-11-26(19-21)22-9-13-24(14-10-22)18-20-6-2-1-3-7-20/h1-3,6-7,21-22H,4-5,8-19H2.
What are the key properties of [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone?
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 385.55 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 56861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).