N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide

C16H21N5O2 — CID 34671315

IUPACN-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-13(19(2)16(22)20-7-9-23-10-8-20)14-3-5-15(6-4-14)21-12-17-11-18-21/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyCTATWTUCXRCTCM-CYBMUJFWSA-N
MW315.38 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide

N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide (PubChem CID 34671315) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide
PubChem CID34671315
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H21N5O2/c1-13(19(2)16(22)20-7-9-23-10-8-20)14-3-5-15(6-4-14)21-12-17-11-18-21/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyCTATWTUCXRCTCM-CYBMUJFWSA-N
XLogP1.71
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide (CID 34671315) is N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide is C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide?
The InChIKey is CTATWTUCXRCTCM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13(19(2)16(22)20-7-9-23-10-8-20)14-3-5-15(6-4-14)21-12-17-11-18-21/h3-6,11-13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide?
N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 34671315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).