N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide

C18H30N6O3 — CID 56912383

IUPACN-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)CC1COCCN1C(=O)NC1CCCC1
InChIInChI=1S/C18H30N6O3/c1-3-23-13-19-21-16(23)11-22(2)17(25)10-15-12-27-9-8-24(15)18(26)20-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,26)
InChIKeySEGUNKNMJLDHQW-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.00
Rot. Bonds6

About N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide

N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide (PubChem CID 56912383) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide
PubChem CID56912383
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC NameN-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)CC1COCCN1C(=O)NC1CCCC1
InChIInChI=1S/C18H30N6O3/c1-3-23-13-19-21-16(23)11-22(2)17(25)10-15-12-27-9-8-24(15)18(26)20-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,26)
InChIKeySEGUNKNMJLDHQW-UHFFFAOYSA-N
XLogP1.00
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide?
The IUPAC name of N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide (CID 56912383) is N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide is CCn1cnnc1CN(C)C(=O)CC1COCCN1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide?
The InChIKey is SEGUNKNMJLDHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-3-23-13-19-21-16(23)11-22(2)17(25)10-15-12-27-9-8-24(15)18(26)20-14-6-4-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,26).
What are the key properties of N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide?
N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-oxoethyl]morpholine-4-carboxamide is sourced from PubChem (CID 56912383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).