(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide

C17H29N3O4 — CID 95621671

IUPAC(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H29N3O4/c1-12-2-3-13(16(18)22)10-20(12)11-15(21)19-14-4-6-17(7-5-14)23-8-9-24-17/h12-14H,2-11H2,1H3,(H2,18,22)(H,19,21)/t12-,13+/m0/s1
InChIKeyAAVIXPQCJBCDSB-QWHCGFSZSA-N
MW339.44 g/mol
LogP0.37
Rot. Bonds4

About (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide

(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95621671) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
PubChem CID95621671
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C17H29N3O4/c1-12-2-3-13(16(18)22)10-20(12)11-15(21)19-14-4-6-17(7-5-14)23-8-9-24-17/h12-14H,2-11H2,1H3,(H2,18,22)(H,19,21)/t12-,13+/m0/s1
InChIKeyAAVIXPQCJBCDSB-QWHCGFSZSA-N
XLogP0.37
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 95157303
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dimethylbutanamide
CID 112729599
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
CID 94839949
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 91646496
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]acetamide
CID 97068758
N-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-(methylamino)acetamide
CID 130905377
(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95150425
(3R,6S)-6-methyl-1-(3-methylbut-2-enyl)piperidine-3-carboxamide
CID 95292502
(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
CID 95336199
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]acetamide
CID 78898781
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 102555049

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide (CID 95621671) is (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is AAVIXPQCJBCDSB-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-12-2-3-13(16(18)22)10-20(12)11-15(21)19-14-4-6-17(7-5-14)23-8-9-24-17/h12-14H,2-11H2,1H3,(H2,18,22)(H,19,21)/t12-,13+/m0/s1.
What are the key properties of (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95621671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).