2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 72867065

IUPAC2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)[nH]1
InChIInChI=1S/C20H32N4O2/c1-4-16-5-6-17(21-16)19(26)23-11-9-20(10-12-23)8-7-18(25)24(15-20)14-13-22(2)3/h5-6,21H,4,7-15H2,1-3H3
InChIKeyYWCUMNGQCBNMHX-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72867065) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72867065
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)[nH]1
InChIInChI=1S/C20H32N4O2/c1-4-16-5-6-17(21-16)19(26)23-11-9-20(10-12-23)8-7-18(25)24(15-20)14-13-22(2)3/h5-6,21H,4,7-15H2,1-3H3
InChIKeyYWCUMNGQCBNMHX-UHFFFAOYSA-N
XLogP1.98
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869234
N-benzyl-2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72916067
2-[2-(dimethylamino)ethyl]-9-[(2S)-2-pyrazol-1-ylbutanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97112348
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
8-[3-(dimethylamino)benzoyl]-2-[2-(dimethylamino)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744129
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-methyl-1H-imidazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896292
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72866706
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
2-ethyl-9-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857950
2-[2-[2-(dimethylamino)ethyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylpyridine-3-carboxamide
CID 70736482
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72867065) is 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YWCUMNGQCBNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-16-5-6-17(21-16)19(26)23-11-9-20(10-12-23)8-7-18(25)24(15-20)14-13-22(2)3/h5-6,21H,4,7-15H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(5-ethyl-1H-pyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72867065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).