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

C18H30Cl2N4O — CID 119454257

IUPAC4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)NC3CCNC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H28N4O.2ClH/c1-14(2)21-9-11-22(12-10-21)17-5-3-15(4-6-17)18(23)20-16-7-8-19-13-16;;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,23);2*1H
InChIKeyHIJYHZABFYTSKR-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.15
Rot. Bonds4

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

4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119454257) has the molecular formula C18H30Cl2N4O and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119454257
Molecular FormulaC18H30Cl2N4O
Molecular Weight389.37 g/mol
Exact Mass388.18
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)NC3CCNC3)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H28N4O.2ClH/c1-14(2)21-9-11-22(12-10-21)17-5-3-15(4-6-17)18(23)20-16-7-8-19-13-16;;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,23);2*1H
InChIKeyHIJYHZABFYTSKR-UHFFFAOYSA-N
XLogP2.15
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554676
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119454257) is 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is CC(C)N1CCN(c2ccc(C(=O)NC3CCNC3)cc2)CC1.Cl.Cl.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is HIJYHZABFYTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.2ClH/c1-14(2)21-9-11-22(12-10-21)17-5-3-15(4-6-17)18(23)20-16-7-8-19-13-16;;/h3-6,14,16,19H,7-13H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 389.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119454257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).