[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

C18H25N3O2 — CID 119412708

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)17(22)20-9-2-3-15(11-20)18(23)21-10-8-16(19)12-21/h4-7,15-16H,2-3,8-12,19H2,1H3/t15?,16-/m1/s1
InChIKeyMLKXLTRZCKJFKO-OEMAIJDKSA-N
MW315.42 g/mol
LogP1.41
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (PubChem CID 119412708) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
PubChem CID119412708
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)cc1
InChIInChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)17(22)20-9-2-3-15(11-20)18(23)21-10-8-16(19)12-21/h4-7,15-16H,2-3,8-12,19H2,1H3/t15?,16-/m1/s1
InChIKeyMLKXLTRZCKJFKO-OEMAIJDKSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 120815084
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120746950
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139006941
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone (CID 119412708) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is Cc1ccc(C(=O)N2CCCC(C(=O)N3CC[C@@H](N)C3)C2)cc1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
The InChIKey is MLKXLTRZCKJFKO-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-4-6-14(7-5-13)17(22)20-9-2-3-15(11-20)18(23)21-10-8-16(19)12-21/h4-7,15-16H,2-3,8-12,19H2,1H3/t15?,16-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119412708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).