N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C19H33N3O3 — CID 127731335

IUPACN-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCN(C(=O)NC3CCOC4(CCOC4)C3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-21-7-2-15(3-8-21)16-4-9-22(13-16)18(23)20-17-5-10-25-19(12-17)6-11-24-14-19/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyCEZQQOBYHPTKBJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.70
Rot. Bonds2

About N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 127731335) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID127731335
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC(C2CCN(C(=O)NC3CCOC4(CCOC4)C3)C2)CC1
InChIInChI=1S/C19H33N3O3/c1-21-7-2-15(3-8-21)16-4-9-22(13-16)18(23)20-17-5-10-25-19(12-17)6-11-24-14-19/h15-17H,2-14H2,1H3,(H,20,23)
InChIKeyCEZQQOBYHPTKBJ-UHFFFAOYSA-N
XLogP1.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-N-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]piperidine-1-carboxamide
CID 129347551
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-7-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 129347531
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
1-cyclopropyl-3-[(5R,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-1-ethylurea
CID 129347011
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
1-butyl-3-(2,6-dioxaspiro[4.5]decan-9-yl)urea
CID 86769827
2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
2-[ethyl-[3-[[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025782
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 127731335) is N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is CN1CCC(C2CCN(C(=O)NC3CCOC4(CCOC4)C3)C2)CC1.
What is the InChIKey of N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is CEZQQOBYHPTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-21-7-2-15(3-8-21)16-4-9-22(13-16)18(23)20-17-5-10-25-19(12-17)6-11-24-14-19/h15-17H,2-14H2,1H3,(H,20,23).
What are the key properties of N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127731335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).