N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

C21H35Cl2N5O — CID 154904810

IUPACN-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C21H33N5O.2ClH/c27-21(26-14-12-25(13-15-26)20-6-9-22-16-20)23-19-7-10-24(11-8-19)17-18-4-2-1-3-5-18;;/h1-5,19-20,22H,6-17H2,(H,23,27);2*1H
InChIKeyQSTSRLYHKUZBAJ-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.18
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (PubChem CID 154904810) has the molecular formula C21H35Cl2N5O and a molecular weight of 444.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
PubChem CID154904810
Molecular FormulaC21H35Cl2N5O
Molecular Weight444.45 g/mol
Exact Mass443.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C21H33N5O.2ClH/c27-21(26-14-12-25(13-15-26)20-6-9-22-16-20)23-19-7-10-24(11-8-19)17-18-4-2-1-3-5-18;;/h1-5,19-20,22H,6-17H2,(H,23,27);2*1H
InChIKeyQSTSRLYHKUZBAJ-UHFFFAOYSA-N
XLogP2.18
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzylpyrrolidin-3-yl)-N-(2-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 128830431
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
CID 143091402
N-(1-benzylpyrrolidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119831668
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-(1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
CID 121495614
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
N-(1-benzylpiperidin-4-yl)-4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71460524
2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (CID 154904810) is N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN(C2CCNC2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The InChIKey is QSTSRLYHKUZBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O.2ClH/c27-21(26-14-12-25(13-15-26)20-6-9-22-16-20)23-19-7-10-24(11-8-19)17-18-4-2-1-3-5-18;;/h1-5,19-20,22H,6-17H2,(H,23,27);2*1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride has a molecular weight of 444.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154904810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).