N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide

C15H25N3O2 — CID 79211284

IUPACN-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-3-14(19)17-13-6-8-18(9-7-13)15(20)11-4-5-12(16)10-11/h4-5,11-13H,2-3,6-10,16H2,1H3,(H,17,19)
InChIKeyJYTMKKQZCAICTB-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.80
Rot. Bonds4

About N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide

N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide (PubChem CID 79211284) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
PubChem CID79211284
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C15H25N3O2/c1-2-3-14(19)17-13-6-8-18(9-7-13)15(20)11-4-5-12(16)10-11/h4-5,11-13H,2-3,6-10,16H2,1H3,(H,17,19)
InChIKeyJYTMKKQZCAICTB-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 79210721
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclopent-2-ene-1-carboxamide
CID 79400762
1-[4-(4-aminocyclopent-2-ene-1-carbonyl)piperazin-1-yl]ethanone
CID 79211513
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
(4-aminocyclopent-2-en-1-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81104024
(4-aminocyclopent-2-en-1-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 79210804
4-amino-N-(1-propylsulfonylpiperidin-4-yl)cyclopent-2-ene-1-carboxamide
CID 79209151
N-[1-(4-methylpiperidine-2-carbonyl)piperidin-4-yl]butanamide
CID 114423431
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
N-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]butanamide
CID 103809389
N-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]butanamide
CID 115432123
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide (CID 79211284) is N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is JYTMKKQZCAICTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-3-14(19)17-13-6-8-18(9-7-13)15(20)11-4-5-12(16)10-11/h4-5,11-13H,2-3,6-10,16H2,1H3,(H,17,19).
What are the key properties of N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide?
N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 279.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminocyclopent-2-ene-1-carbonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 79211284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).