[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C24H35N3O — CID 11338026

IUPAC[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC(N1CCCC1)C2)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C24H35N3O/c28-24(27-15-5-6-23(27)18-25-11-1-2-12-25)21-8-7-20-17-22(10-9-19(20)16-21)26-13-3-4-14-26/h7-8,16,22-23H,1-6,9-15,17-18H2/t22?,23-/m0/s1
InChIKeyRXWHAZCJOZDMSU-WCSIJFPASA-N
MW381.56 g/mol
LogP3.34
Rot. Bonds4

About [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 11338026) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID11338026
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC(N1CCCC1)C2)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C24H35N3O/c28-24(27-15-5-6-23(27)18-25-11-1-2-12-25)21-8-7-20-17-22(10-9-19(20)16-21)26-13-3-4-14-26/h7-8,16,22-23H,1-6,9-15,17-18H2/t22?,23-/m0/s1
InChIKeyRXWHAZCJOZDMSU-WCSIJFPASA-N
XLogP3.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371055
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-bromo-3-fluorophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965285
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 11338026) is [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccc2c(c1)CCC(N1CCCC1)C2)N1CCC[C@H]1CN1CCCC1.
What is the InChIKey of [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is RXWHAZCJOZDMSU-WCSIJFPASA-N. The full InChI is InChI=1S/C24H35N3O/c28-24(27-15-5-6-23(27)18-25-11-1-2-12-25)21-8-7-20-17-22(10-9-19(20)16-21)26-13-3-4-14-26/h7-8,16,22-23H,1-6,9-15,17-18H2/t22?,23-/m0/s1.
What are the key properties of [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 381.56 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 11338026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).