N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C17H31N3O2 — CID 108973786

IUPACN-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C17H31N3O2/c1-4-14-8-5-6-13-20(14)16(22)17(9-10-17)15(21)18-11-7-12-19(2)3/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyRCLRRHJLVOYKCZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.63
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973786) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973786
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C17H31N3O2/c1-4-14-8-5-6-13-20(14)16(22)17(9-10-17)15(21)18-11-7-12-19(2)3/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyRCLRRHJLVOYKCZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
1-(2-ethylpiperidine-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 108980086
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109186143

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108973786) is N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is RCLRRHJLVOYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-14-8-5-6-13-20(14)16(22)17(9-10-17)15(21)18-11-7-12-19(2)3/h14H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).