6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one

C40H62N4O4 — CID 11763757

IUPAC6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one
SMILESCOc1ccccc1CNCCCCCC(=O)N1CCC(CCC2CCN(C(=O)CCCCCNCc3ccccc3OC)CC2)CC1
InChIInChI=1S/C40H62N4O4/c1-47-37-15-9-7-13-35(37)31-41-25-11-3-5-17-39(45)43-27-21-33(22-28-43)19-20-34-23-29-44(30-24-34)40(46)18-6-4-12-26-42-32-36-14-8-10-16-38(36)48-2/h7-10,13-16,33-34,41-42H,3-6,11-12,17-32H2,1-2H3
InChIKeyYGXZRKFALVLGOZ-UHFFFAOYSA-N
MW662.96 g/mol
LogP6.96
Rot. Bonds21

About 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one

6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one (PubChem CID 11763757) has the molecular formula C40H62N4O4 and a molecular weight of 662.96 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one
PubChem CID11763757
Molecular FormulaC40H62N4O4
Molecular Weight662.96 g/mol
Exact Mass662.48
IUPAC Name6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one
SMILESCOc1ccccc1CNCCCCCC(=O)N1CCC(CCC2CCN(C(=O)CCCCCNCc3ccccc3OC)CC2)CC1
InChIInChI=1S/C40H62N4O4/c1-47-37-15-9-7-13-35(37)31-41-25-11-3-5-17-39(45)43-27-21-33(22-28-43)19-20-34-23-29-44(30-24-34)40(46)18-6-4-12-26-42-32-36-14-8-10-16-38(36)48-2/h7-10,13-16,33-34,41-42H,3-6,11-12,17-32H2,1-2H3
InChIKeyYGXZRKFALVLGOZ-UHFFFAOYSA-N
XLogP6.96
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.96
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one with MolForge

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Related Compounds

Caproctamine
CID 10055202
Pipertramine amide
CID 10865439
trans-(1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 10051341
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
Cambridge id 7035693
CID 1075488
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide
CID 2841738
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278
N-(2-methoxybenzyl)-3-phenylbutanamide
CID 2914849

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one (CID 11763757) is 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one is COc1ccccc1CNCCCCCC(=O)N1CCC(CCC2CCN(C(=O)CCCCCNCc3ccccc3OC)CC2)CC1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one?
The InChIKey is YGXZRKFALVLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H62N4O4/c1-47-37-15-9-7-13-35(37)31-41-25-11-3-5-17-39(45)43-27-21-33(22-28-43)19-20-34-23-29-44(30-24-34)40(46)18-6-4-12-26-42-32-36-14-8-10-16-38(36)48-2/h7-10,13-16,33-34,41-42H,3-6,11-12,17-32H2,1-2H3.
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one?
6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one has a molecular weight of 662.96 g/mol, XLogP of 6.96, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-1-[4-[2-[1-[6-[(2-methoxyphenyl)methylamino]hexanoyl]piperidin-4-yl]ethyl]piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 11763757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).