(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one

C22H32N4O2 — CID 95870066

IUPAC(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESNC1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)CCNCC1
InChIInChI=1S/C22H32N4O2/c23-22(10-12-24-13-11-22)20(28)25-14-4-8-21(16-25)9-7-19(27)26(17-21)15-18-5-2-1-3-6-18/h1-3,5-6,24H,4,7-17,23H2/t21-/m1/s1
InChIKeySEQBWSDGYZFVMG-OAQYLSRUSA-N
MW384.52 g/mol
LogP1.50
Rot. Bonds3

About (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95870066) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95870066
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESNC1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)CCNCC1
InChIInChI=1S/C22H32N4O2/c23-22(10-12-24-13-11-22)20(28)25-14-4-8-21(16-25)9-7-19(27)26(17-21)15-18-5-2-1-3-6-18/h1-3,5-6,24H,4,7-17,23H2/t21-/m1/s1
InChIKeySEQBWSDGYZFVMG-OAQYLSRUSA-N
XLogP1.50
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896359
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
CID 95870290
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
CID 70739252
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one (CID 95870066) is (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one is NC1(C(=O)N2CCC[C@@]3(CCC(=O)N(Cc4ccccc4)C3)C2)CCNCC1.
What is the InChIKey of (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SEQBWSDGYZFVMG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H32N4O2/c23-22(10-12-24-13-11-22)20(28)25-14-4-8-21(16-25)9-7-19(27)26(17-21)15-18-5-2-1-3-6-18/h1-3,5-6,24H,4,7-17,23H2/t21-/m1/s1.
What are the key properties of (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.52 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95870066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).