[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

C18H23Cl2N3O2 — CID 119487679

IUPAC[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2/c1-21-15-4-2-6-22(11-15)18(25)16-5-3-7-23(16)17(24)12-8-13(19)10-14(20)9-12/h8-10,15-16,21H,2-7,11H2,1H3
InChIKeyNHYPCGIPOSODRO-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.81
Rot. Bonds3

About [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone

[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119487679) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119487679
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C18H23Cl2N3O2/c1-21-15-4-2-6-22(11-15)18(25)16-5-3-7-23(16)17(24)12-8-13(19)10-14(20)9-12/h8-10,15-16,21H,2-7,11H2,1H3
InChIKeyNHYPCGIPOSODRO-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119490463
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
2-[4-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55607635
[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491871
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55850354
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2R)-1-(3,5-dichlorobenzoyl)-N-[(2R)-4-[(S)-methylsulfinyl]butan-2-yl]pyrrolidine-2-carboxamide
CID 98773325

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119487679) is [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is NHYPCGIPOSODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c1-21-15-4-2-6-22(11-15)18(25)16-5-3-7-23(16)17(24)12-8-13(19)10-14(20)9-12/h8-10,15-16,21H,2-7,11H2,1H3.
What are the key properties of [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone?
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 384.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119487679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).