1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one

C18H30N2O2 — CID 97095137

IUPAC1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1
InChIInChI=1S/C18H30N2O2/c1-2-16(21)19-11-6-7-15(13-19)17(22)20-12-10-18(14-20)8-4-3-5-9-18/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeySACRJDUYNQQQEM-OAHLLOKOSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds2

About 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one

1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 97095137) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID97095137
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1
InChIInChI=1S/C18H30N2O2/c1-2-16(21)19-11-6-7-15(13-19)17(22)20-12-10-18(14-20)8-4-3-5-9-18/h15H,2-14H2,1H3/t15-/m1/s1
InChIKeySACRJDUYNQQQEM-OAHLLOKOSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
1-[2-(6-azaspiro[3.4]octane-6-carbonyl)piperidin-1-yl]propan-1-one
CID 102555137
cyclopentyl-[9-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484588
4-(2-azaspiro[4.5]decane-2-carbonyl)-1-methylpyrrolidin-2-one
CID 127355360
6-azaspiro[3.4]octan-6-yl(azetidin-3-yl)methanone
CID 131185783
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-(1-propanoylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 131937805
1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97279537
1-(1-carbamoylpiperidine-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144541

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one (CID 97095137) is 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)C2)C1.
What is the InChIKey of 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is SACRJDUYNQQQEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-16(21)19-11-6-7-15(13-19)17(22)20-12-10-18(14-20)8-4-3-5-9-18/h15H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one?
1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 306.45 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97095137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).