(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C16H31N3O3 — CID 11912553

IUPAC(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C16H31N3O3/c1-5-13-11-19(16(21)18-12(2)3)8-6-14(13)10-15(20)17-7-9-22-4/h12-14H,5-11H2,1-4H3,(H,17,20)(H,18,21)/t13-,14-/m0/s1
InChIKeyUXRSKXCUDUWFPV-KBPBESRZSA-N
MW313.44 g/mol
LogP1.61
Rot. Bonds7

About (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 11912553) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID11912553
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCOC
InChIInChI=1S/C16H31N3O3/c1-5-13-11-19(16(21)18-12(2)3)8-6-14(13)10-15(20)17-7-9-22-4/h12-14H,5-11H2,1-4H3,(H,17,20)(H,18,21)/t13-,14-/m0/s1
InChIKeyUXRSKXCUDUWFPV-KBPBESRZSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pentanamide, 2-ethyl-3-methyl-N-(4-morpholinylmethyl)-, monohydrochloride
CID 3071444
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493728
3-N,3-N-diethyl-1-N-(2-methoxyethyl)piperidine-1,3-dicarboxamide
CID 172435150
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11911991
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11912294
(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 11912550
(3R,4S)-4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 11912554
N-cyclohexyl-9-(2-methoxyethyl)-10-oxo-3,9-diazaspiro[5.6]dodecane-3-carboxamide
CID 124041992
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 11912598
Pentanamide, 2-ethyl-3-methyl-N-(4-morpholinylmethyl)-
CID 3071445
(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 28991281
1-N-(4,4-difluoro-2-methylbutyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 167820474

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 11912553) is (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC[C@H]1CN(C(=O)NC(C)C)CC[C@H]1CC(=O)NCCOC.
What is the InChIKey of (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UXRSKXCUDUWFPV-KBPBESRZSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-5-13-11-19(16(21)18-12(2)3)8-6-14(13)10-15(20)17-7-9-22-4/h12-14H,5-11H2,1-4H3,(H,17,20)(H,18,21)/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-[2-(2-methoxyethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 11912553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).