N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C22H37Cl2N3O3 — CID 119898742

IUPACN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C22H35N3O3.2ClH/c1-16(18-5-4-7-23-14-18)9-22(26)24-13-17-6-8-25(15-17)19-10-20(27-2)12-21(11-19)28-3;;/h10-12,16-18,23H,4-9,13-15H2,1-3H3,(H,24,26);2*1H
InChIKeyFQMFXKWKQNEAKY-UHFFFAOYSA-N
MW462.46 g/mol
LogP3.52
Rot. Bonds8

About N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119898742) has the molecular formula C22H37Cl2N3O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119898742
Molecular FormulaC22H37Cl2N3O3
Molecular Weight462.46 g/mol
Exact Mass461.22
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(CNC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl
InChIInChI=1S/C22H35N3O3.2ClH/c1-16(18-5-4-7-23-14-18)9-22(26)24-13-17-6-8-25(15-17)19-10-20(27-2)12-21(11-19)28-3;;/h10-12,16-18,23H,4-9,13-15H2,1-3H3,(H,24,26);2*1H
InChIKeyFQMFXKWKQNEAKY-UHFFFAOYSA-N
XLogP3.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119898772
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703515
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119898742) is N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is COc1cc(OC)cc(N2CCC(CNC(=O)CC(C)C3CCCNC3)C2)c1.Cl.Cl.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is FQMFXKWKQNEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3.2ClH/c1-16(18-5-4-7-23-14-18)9-22(26)24-13-17-6-8-25(15-17)19-10-20(27-2)12-21(11-19)28-3;;/h10-12,16-18,23H,4-9,13-15H2,1-3H3,(H,24,26);2*1H.
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 462.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119898742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).