1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide

C22H28N2O3 — CID 100780619

IUPAC1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-16-27-18-8-6-17(7-9-18)23-19(25)21(10-11-21)22(12-13-22)20(26)24-14-4-3-5-15-24/h2,6-9H,1,3-5,10-16H2,(H,23,25)
InChIKeySRQKBSKIIPNKRP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.76
Rot. Bonds7

About 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide

1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 100780619) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
PubChem CID100780619
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
SMILESC=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-16-27-18-8-6-17(7-9-18)23-19(25)21(10-11-21)22(12-13-22)20(26)24-14-4-3-5-15-24/h2,6-9H,1,3-5,10-16H2,(H,23,25)
InChIKeySRQKBSKIIPNKRP-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(pyrrolidine-1-carbonyl)cyclopropyl]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780604
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
1-(azepane-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 108980460
N-(4-prop-2-enoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681564
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
N'-[(Z)-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126263814
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716

Frequently Asked Questions

What is the IUPAC name of 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide (CID 100780619) is 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide is C=CCOc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)cc1.
What is the InChIKey of 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SRQKBSKIIPNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-16-27-18-8-6-17(7-9-18)23-19(25)21(10-11-21)22(12-13-22)20(26)24-14-4-3-5-15-24/h2,6-9H,1,3-5,10-16H2,(H,23,25).
What are the key properties of 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide?
1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(piperidine-1-carbonyl)cyclopropyl]-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100780619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).