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

C17H26N2O4 — CID 35823539

IUPAC(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-13(2)22-11-5-8-18-16(20)14-6-3-9-19(12-14)17(21)15-7-4-10-23-15/h4,7,10,13-14H,3,5-6,8-9,11-12H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeySRGCEIATRPZNQX-AWEZNQCLSA-N
MW322.40 g/mol
LogP2.06
Rot. Bonds7

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

(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (PubChem CID 35823539) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
PubChem CID35823539
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
SMILESCC(C)OCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C17H26N2O4/c1-13(2)22-11-5-8-18-16(20)14-6-3-9-19(12-14)17(21)15-7-4-10-23-15/h4,7,10,13-14H,3,5-6,8-9,11-12H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeySRGCEIATRPZNQX-AWEZNQCLSA-N
XLogP2.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.06
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)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
(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-[(3-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924508
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
1-[(4-bromophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 43924509
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 93492205
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide (CID 35823539) is (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is CC(C)OCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is SRGCEIATRPZNQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13(2)22-11-5-8-18-16(20)14-6-3-9-19(12-14)17(21)15-7-4-10-23-15/h4,7,10,13-14H,3,5-6,8-9,11-12H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide?
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 35823539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).