(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

C16H24N2O4 — CID 32623768

IUPAC(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C16H24N2O4/c1-2-21-10-5-8-17-15(19)13-6-3-9-18(12-13)16(20)14-7-4-11-22-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRSZZXPFYHKMIEI-ZDUSSCGKSA-N
MW308.38 g/mol
LogP1.67
Rot. Bonds7

About (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide

(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 32623768) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID32623768
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C16H24N2O4/c1-2-21-10-5-8-17-15(19)13-6-3-9-18(12-13)16(20)14-7-4-11-22-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRSZZXPFYHKMIEI-ZDUSSCGKSA-N
XLogP1.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
2-[[(3-ethoxypropylamino)-[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 111166263
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938277
(3R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35819953
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 32623768) is (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is CCOCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is RSZZXPFYHKMIEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-21-10-5-8-17-15(19)13-6-3-9-18(12-13)16(20)14-7-4-11-22-14/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 32623768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).