ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide

C20H43N3O2 — CID 172589491

IUPACethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
SMILESCC.CC.CC(=O)CCCNC(=O)C1CCNCC1.CN1CCCC1
InChIInChI=1S/C11H20N2O2.C5H11N.2C2H6/c1-9(14)3-2-6-13-11(15)10-4-7-12-8-5-10;1-6-4-2-3-5-6;2*1-2/h10,12H,2-8H2,1H3,(H,13,15);2-5H2,1H3;2*1-2H3
InChIKeyKINLMSKPROSBTQ-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.24
Rot. Bonds5

About ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide

ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide (PubChem CID 172589491) has the molecular formula C20H43N3O2 and a molecular weight of 357.58 g/mol. Its IUPAC name is ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
PubChem CID172589491
Molecular FormulaC20H43N3O2
Molecular Weight357.58 g/mol
Exact Mass357.34
IUPAC Nameethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
SMILESCC.CC.CC(=O)CCCNC(=O)C1CCNCC1.CN1CCCC1
InChIInChI=1S/C11H20N2O2.C5H11N.2C2H6/c1-9(14)3-2-6-13-11(15)10-4-7-12-8-5-10;1-6-4-2-3-5-6;2*1-2/h10,12H,2-8H2,1H3,(H,13,15);2-5H2,1H3;2*1-2H3
InChIKeyKINLMSKPROSBTQ-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-6-oxohexyl]piperidine-4-carboxamide;hydrochloride
CID 119316230
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide?
The IUPAC name of ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide (CID 172589491) is ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide.
What is the SMILES notation for ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide?
The canonical SMILES for ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide is CC.CC.CC(=O)CCCNC(=O)C1CCNCC1.CN1CCCC1.
What is the InChIKey of ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide?
The InChIKey is KINLMSKPROSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C5H11N.2C2H6/c1-9(14)3-2-6-13-11(15)10-4-7-12-8-5-10;1-6-4-2-3-5-6;2*1-2/h10,12H,2-8H2,1H3,(H,13,15);2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide?
ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide has a molecular weight of 357.58 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide is sourced from PubChem (CID 172589491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).