1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide

C14H26N4O2 — CID 63300440

IUPAC1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)N1CCCC(C(N)=O)C1)C1CCNC1
InChIInChI=1S/C14H26N4O2/c1-2-17(12-5-6-16-8-12)10-13(19)18-7-3-4-11(9-18)14(15)20/h11-12,16H,2-10H2,1H3,(H2,15,20)
InChIKeyJFZLGNVMGODJMX-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.61
Rot. Bonds5

About 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide

1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide (PubChem CID 63300440) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide
PubChem CID63300440
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide
SMILESCCN(CC(=O)N1CCCC(C(N)=O)C1)C1CCNC1
InChIInChI=1S/C14H26N4O2/c1-2-17(12-5-6-16-8-12)10-13(19)18-7-3-4-11(9-18)14(15)20/h11-12,16H,2-10H2,1H3,(H2,15,20)
InChIKeyJFZLGNVMGODJMX-UHFFFAOYSA-N
XLogP-0.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
CID 134001299
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63299179

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide (CID 63300440) is 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide is CCN(CC(=O)N1CCCC(C(N)=O)C1)C1CCNC1.
What is the InChIKey of 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide?
The InChIKey is JFZLGNVMGODJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-2-17(12-5-6-16-8-12)10-13(19)18-7-3-4-11(9-18)14(15)20/h11-12,16H,2-10H2,1H3,(H2,15,20).
What are the key properties of 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide?
1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide has a molecular weight of 282.39 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(pyrrolidin-3-yl)amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 63300440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).