(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone

C25H38N2O3 — CID 68576312

IUPAC(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
SMILESO=C(N1CCC(O)CC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCCCC1
InChIInChI=1S/C25H38N2O3/c28-22-11-18-27(19-12-22)24(29)25(13-2-1-3-14-25)21-7-9-23(10-8-21)30-20-6-17-26-15-4-5-16-26/h7-10,22,28H,1-6,11-20H2
InChIKeyVRAGVBCCRBNHNZ-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.74
Rot. Bonds7

About (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone

(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone (PubChem CID 68576312) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
PubChem CID68576312
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone
SMILESO=C(N1CCC(O)CC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCCCC1
InChIInChI=1S/C25H38N2O3/c28-22-11-18-27(19-12-22)24(29)25(13-2-1-3-14-25)21-7-9-23(10-8-21)30-20-6-17-26-15-4-5-16-26/h7-10,22,28H,1-6,11-20H2
InChIKeyVRAGVBCCRBNHNZ-UHFFFAOYSA-N
XLogP3.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
4-[(dimethylamino)methyl]-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexan-1-ol
CID 23091669
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
CID 146076594
1-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexyl]piperidin-4-ol
CID 56675822
azane;(2,2-dimethylazetidin-1-yl)-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanone
CID 68579025
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-phenylcyclohexane-1-carboxamide
CID 100669515
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-(4-methoxyphenyl)-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 125060336
1-(4-methylphenyl)-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133179633

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone (CID 68576312) is (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone is O=C(N1CCC(O)CC1)C1(c2ccc(OCCCN3CCCC3)cc2)CCCCC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone?
The InChIKey is VRAGVBCCRBNHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c28-22-11-18-27(19-12-22)24(29)25(13-2-1-3-14-25)21-7-9-23(10-8-21)30-20-6-17-26-15-4-5-16-26/h7-10,22,28H,1-6,11-20H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone?
(4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone has a molecular weight of 414.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexyl]methanone is sourced from PubChem (CID 68576312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).