2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide

C17H29N3O3 — CID 109133868

IUPAC2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C17H29N3O3/c1-13-3-2-5-20(12-13)17(22)15-11-14(15)16(21)18-4-6-19-7-9-23-10-8-19/h13-15H,2-12H2,1H3,(H,18,21)
InChIKeyATFGJZJYCBYFLJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.33
Rot. Bonds5

About 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide

2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 109133868) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID109133868
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C17H29N3O3/c1-13-3-2-5-20(12-13)17(22)15-11-14(15)16(21)18-4-6-19-7-9-23-10-8-19/h13-15H,2-12H2,1H3,(H,18,21)
InChIKeyATFGJZJYCBYFLJ-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
2-(morpholine-4-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130430
2-amino-5-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 65454339
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
1-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111056854
(4-methylpiperidin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109132556
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 119850991
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
N-[2-(3-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 51080907

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide (CID 109133868) is 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide is CC1CCCN(C(=O)C2CC2C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is ATFGJZJYCBYFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-3-2-5-20(12-13)17(22)15-11-14(15)16(21)18-4-6-19-7-9-23-10-8-19/h13-15H,2-12H2,1H3,(H,18,21).
What are the key properties of 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?
2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).