N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

C24H39N3O2 — CID 28767990

IUPACN-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H39N3O2/c1-29-20-6-14-25-24(28)22-10-18-27(19-11-22)23-12-16-26(17-13-23)15-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-23H,5-6,9-20H2,1H3,(H,25,28)
InChIKeyCJVZLKKIWBTLHP-UHFFFAOYSA-N
MW401.60 g/mol
LogP2.95
Rot. Bonds10

About N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 28767990) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID28767990
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC NameN-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1
InChIInChI=1S/C24H39N3O2/c1-29-20-6-14-25-24(28)22-10-18-27(19-11-22)23-12-16-26(17-13-23)15-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-23H,5-6,9-20H2,1H3,(H,25,28)
InChIKeyCJVZLKKIWBTLHP-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 52.95
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-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
N-(1-cyclopropylethyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 45220804
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-[(3R)-2-oxopyrrolidin-3-yl]-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 96582167
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 29028022
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide (CID 28767990) is N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is CJVZLKKIWBTLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-29-20-6-14-25-24(28)22-10-18-27(19-11-22)23-12-16-26(17-13-23)15-5-9-21-7-3-2-4-8-21/h2-4,7-8,22-23H,5-6,9-20H2,1H3,(H,25,28).
What are the key properties of N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 401.60 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 28767990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).