N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide

C16H27N3O3 — CID 119808763

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)C1COCCN1
InChIInChI=1S/C16H27N3O3/c20-15(14-11-22-9-7-17-14)18-13-6-8-19(10-13)16(21)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20)
InChIKeyHNKVUEQVJXIFRK-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.27
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide (PubChem CID 119808763) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
PubChem CID119808763
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)C1COCCN1
InChIInChI=1S/C16H27N3O3/c20-15(14-11-22-9-7-17-14)18-13-6-8-19(10-13)16(21)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20)
InChIKeyHNKVUEQVJXIFRK-UHFFFAOYSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 119864795
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389
1-cyclohexyl-3-[1-(morpholine-3-carbonyl)piperidin-4-yl]urea;hydrochloride
CID 119750464
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2-hydroxyacetamide
CID 143286863
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 119710946
N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-3-carboxamide
CID 107222110

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide (CID 119808763) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)C1)C1COCCN1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
The InChIKey is HNKVUEQVJXIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c20-15(14-11-22-9-7-17-14)18-13-6-8-19(10-13)16(21)12-4-2-1-3-5-12/h12-14,17H,1-11H2,(H,18,20).
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 119808763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).