N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide

C19H27N3O4 — CID 55972035

IUPACN-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOCCn1cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)ccc1=O
InChIInChI=1S/C19H27N3O4/c1-26-10-9-21-13-16(6-7-17(21)23)19(25)22-8-2-3-15(12-22)18(24)20-11-14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3,(H,20,24)
InChIKeyWURYLUAJUBAGPS-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.87
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 55972035) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide
PubChem CID55972035
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide
SMILESCOCCn1cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)ccc1=O
InChIInChI=1S/C19H27N3O4/c1-26-10-9-21-13-16(6-7-17(21)23)19(25)22-8-2-3-15(12-22)18(24)20-11-14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3,(H,20,24)
InChIKeyWURYLUAJUBAGPS-UHFFFAOYSA-N
XLogP0.87
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide (CID 55972035) is N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide is COCCn1cc(C(=O)N2CCCC(C(=O)NCC3CC3)C2)ccc1=O.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is WURYLUAJUBAGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-26-10-9-21-13-16(6-7-17(21)23)19(25)22-8-2-3-15(12-22)18(24)20-11-14-4-5-14/h6-7,13-15H,2-5,8-12H2,1H3,(H,20,24).
What are the key properties of N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-(2-methoxyethyl)-6-oxopyridine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 55972035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).