1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide

C13H21N3O3 — CID 108970408

IUPAC1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C13H21N3O3/c1-10(2)14-11(18)13(3-4-13)12(19)16-7-5-15(9-17)6-8-16/h9-10H,3-8H2,1-2H3,(H,14,18)
InChIKeyNOWOEUFSQQPRBZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.41
Rot. Bonds4

About 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide

1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 108970408) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID108970408
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C13H21N3O3/c1-10(2)14-11(18)13(3-4-13)12(19)16-7-5-15(9-17)6-8-16/h9-10H,3-8H2,1-2H3,(H,14,18)
InChIKeyNOWOEUFSQQPRBZ-UHFFFAOYSA-N
XLogP-0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 108974246
1-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108974325
1-(4-formylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108974308
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450
N-(3,4-difluorophenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974409
1-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974349
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbaldehyde
CID 141433309
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
N-(3-chloro-4-methoxyphenyl)-1-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974343
N-[(2R)-butan-2-yl]-4-formylpiperazine-1-carboxamide
CID 51386955

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 108970408) is 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)NC(=O)C1(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is NOWOEUFSQQPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(2)14-11(18)13(3-4-13)12(19)16-7-5-15(9-17)6-8-16/h9-10H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).