(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide

C15H25N3O4 — CID 97068654

IUPAC(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CN2CCCC3(C2)OCCO3)C1
InChIInChI=1S/C15H25N3O4/c16-14(20)12-3-1-6-18(9-12)13(19)10-17-5-2-4-15(11-17)21-7-8-22-15/h12H,1-11H2,(H2,16,20)/t12-/m1/s1
InChIKeyALDKIWDWFFUYSP-GFCCVEGCSA-N
MW311.38 g/mol
LogP-0.45
Rot. Bonds3

About (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide

(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide (PubChem CID 97068654) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
PubChem CID97068654
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)CN2CCCC3(C2)OCCO3)C1
InChIInChI=1S/C15H25N3O4/c16-14(20)12-3-1-6-18(9-12)13(19)10-17-5-2-4-15(11-17)21-7-8-22-15/h12H,1-11H2,(H2,16,20)/t12-/m1/s1
InChIKeyALDKIWDWFFUYSP-GFCCVEGCSA-N
XLogP-0.45
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide (CID 97068654) is (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC3(C2)OCCO3)C1.
What is the InChIKey of (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is ALDKIWDWFFUYSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O4/c16-14(20)12-3-1-6-18(9-12)13(19)10-17-5-2-4-15(11-17)21-7-8-22-15/h12H,1-11H2,(H2,16,20)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 97068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).