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

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

(3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56669910) has the molecular formula C30H43N3O5 and a molecular weight of 525.69 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name	(3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID	56669910
Molecular Formula	C30H43N3O5
Molecular Weight	525.69 g/mol
Exact Mass	525.32
IUPAC Name	(3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
SMILES	CCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O
InChI	InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/m1/s1
InChIKey	AXBFXWNMQYOMAF-IZLXSDGUSA-N
XLogP	3.36
TPSA	82.03 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	14
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.69
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The IUPAC name of (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (CID 56669910) is (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is CCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O.

What is the InChIKey of (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

The InChIKey is AXBFXWNMQYOMAF-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/m1/s1.

What are the key properties of (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?

(3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 525.69 g/mol, XLogP of 3.36, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-cyclopropyl-4-(1-ethyl-2-oxo-4-pyridinyl)-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56669910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).