N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C19H32Cl2N4O — CID 119554676

IUPACN-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C)C3CCNC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15(2)22-10-12-23(13-11-22)17-6-4-16(5-7-17)19(24)21(3)18-8-9-20-14-18;;/h4-7,15,18,20H,8-14H2,1-3H3;2*1H
InChIKeyBMVSPGBRMIIPIW-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride

N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119554676) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119554676
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)N(C)C3CCNC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-15(2)22-10-12-23(13-11-22)17-6-4-16(5-7-17)19(24)21(3)18-8-9-20-14-18;;/h4-7,15,18,20H,8-14H2,1-3H3;2*1H
InChIKeyBMVSPGBRMIIPIW-UHFFFAOYSA-N
XLogP2.49
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119454257
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119554676) is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is CC(C)N1CCN(c2ccc(C(=O)N(C)C3CCNC3)cc2)CC1.Cl.Cl.
What is the InChIKey of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is BMVSPGBRMIIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-15(2)22-10-12-23(13-11-22)17-6-4-16(5-7-17)19(24)21(3)18-8-9-20-14-18;;/h4-7,15,18,20H,8-14H2,1-3H3;2*1H.
What are the key properties of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).