N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C16H27N3O2 — CID 122565189

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)C1C=CCN1
InChIInChI=1S/C16H27N3O2/c20-15(14-5-4-8-17-14)18-13-16(6-2-1-3-7-16)19-9-11-21-12-10-19/h4-5,14,17H,1-3,6-13H2,(H,18,20)
InChIKeyGWNMTEBXDNZQBK-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.67
Rot. Bonds4

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 122565189) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID122565189
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)C1C=CCN1
InChIInChI=1S/C16H27N3O2/c20-15(14-5-4-8-17-14)18-13-16(6-2-1-3-7-16)19-9-11-21-12-10-19/h4-5,14,17H,1-3,6-13H2,(H,18,20)
InChIKeyGWNMTEBXDNZQBK-UHFFFAOYSA-N
XLogP0.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 125150968
N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154912244
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173
2-(4-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 51330819
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 122139787
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
1-(4-fluorophenyl)sulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 42916117

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 122565189) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)C1C=CCN1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is GWNMTEBXDNZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(14-5-4-8-17-14)18-13-16(6-2-1-3-7-16)19-9-11-21-12-10-19/h4-5,14,17H,1-3,6-13H2,(H,18,20).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122565189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).