1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one

C17H30N2O2 — CID 114817889

IUPAC1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
SMILESO=C(CCNC1CCC2(CCCC2)CC1)N1CCOCC1
InChIInChI=1S/C17H30N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-15-3-8-17(9-4-15)6-1-2-7-17/h15,18H,1-14H2
InChIKeyPCAYPRNFBQPUGM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.33
Rot. Bonds4

About 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one

1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one (PubChem CID 114817889) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
PubChem CID114817889
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
SMILESO=C(CCNC1CCC2(CCCC2)CC1)N1CCOCC1
InChIInChI=1S/C17H30N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-15-3-8-17(9-4-15)6-1-2-7-17/h15,18H,1-14H2
InChIKeyPCAYPRNFBQPUGM-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one (CID 114817889) is 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one is O=C(CCNC1CCC2(CCCC2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one?
The InChIKey is PCAYPRNFBQPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(19-11-13-21-14-12-19)5-10-18-15-3-8-17(9-4-15)6-1-2-7-17/h15,18H,1-14H2.
What are the key properties of 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one?
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one is sourced from PubChem (CID 114817889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).