N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C30H43N3O6 — CID 67061936

IUPACN-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCOCCCc1cc(CN(C(=O)C2CNCCC2(OC)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1
InChIInChI=1S/C30H43N3O6/c1-32-12-9-24(19-28(32)34)30(38-4)10-11-31-20-27(30)29(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)39-15-14-37-3/h9,12,16-19,25,27,31H,5-8,10-11,13-15,20-21H2,1-4H3
InChIKeyKEKXAUVXDCIHDS-UHFFFAOYSA-N
MW541.69 g/mol
LogP2.63
Rot. Bonds14

About N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 67061936) has the molecular formula C30H43N3O6 and a molecular weight of 541.69 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID67061936
Molecular FormulaC30H43N3O6
Molecular Weight541.69 g/mol
Exact Mass541.32
IUPAC NameN-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCOCCCc1cc(CN(C(=O)C2CNCCC2(OC)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1
InChIInChI=1S/C30H43N3O6/c1-32-12-9-24(19-28(32)34)30(38-4)10-11-31-20-27(30)29(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)39-15-14-37-3/h9,12,16-19,25,27,31H,5-8,10-11,13-15,20-21H2,1-4H3
InChIKeyKEKXAUVXDCIHDS-UHFFFAOYSA-N
XLogP2.63
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 67061936) is N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is COCCCc1cc(CN(C(=O)C2CNCCC2(OC)c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1.
What is the InChIKey of N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is KEKXAUVXDCIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O6/c1-32-12-9-24(19-28(32)34)30(38-4)10-11-31-20-27(30)29(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)39-15-14-37-3/h9,12,16-19,25,27,31H,5-8,10-11,13-15,20-21H2,1-4H3.
What are the key properties of N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 541.69 g/mol, XLogP of 2.63, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 67061936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).