(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide

C26H42N4O3 — CID 26335345

IUPAC(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCCc1c(C(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C26H42N4O3/c1-5-22-24(23(31)18-20(4)30(22)17-16-27-13-9-8-10-14-27)26(33)29-15-11-12-21(19-29)25(32)28(6-2)7-3/h18,21H,5-17,19H2,1-4H3/t21-/m0/s1
InChIKeyIRVJIQFEZHUZKL-NRFANRHFSA-N
MW458.65 g/mol
LogP2.93
Rot. Bonds8

About (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 26335345) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID26335345
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC Name(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCCc1c(C(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)c(=O)cc(C)n1CCN1CCCCC1
InChIInChI=1S/C26H42N4O3/c1-5-22-24(23(31)18-20(4)30(22)17-16-27-13-9-8-10-14-27)26(33)29-15-11-12-21(19-29)25(32)28(6-2)7-3/h18,21H,5-17,19H2,1-4H3/t21-/m0/s1
InChIKeyIRVJIQFEZHUZKL-NRFANRHFSA-N
XLogP2.93
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide (CID 26335345) is (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide is CCc1c(C(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)c(=O)cc(C)n1CCN1CCCCC1.
What is the InChIKey of (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is IRVJIQFEZHUZKL-NRFANRHFSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-5-22-24(23(31)18-20(4)30(22)17-16-27-13-9-8-10-14-27)26(33)29-15-11-12-21(19-29)25(32)28(6-2)7-3/h18,21H,5-17,19H2,1-4H3/t21-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 26335345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).