N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

C18H28Cl2N4O2 — CID 119840821

IUPACN-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCCNC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H26N4O2.2ClH/c23-17(20-16-6-2-1-3-7-16)14-21-9-11-22(12-10-21)18(24)15-5-4-8-19-13-15;;/h1-3,6-7,15,19H,4-5,8-14H2,(H,20,23);2*1H
InChIKeyKAOHFYSMWOOKII-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.61
Rot. Bonds4

About N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119840821) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119840821
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC NameN-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCCNC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H26N4O2.2ClH/c23-17(20-16-6-2-1-3-7-16)14-21-9-11-22(12-10-21)18(24)15-5-4-8-19-13-15;;/h1-3,6-7,15,19H,4-5,8-14H2,(H,20,23);2*1H
InChIKeyKAOHFYSMWOOKII-UHFFFAOYSA-N
XLogP1.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 119833358
N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833581
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-cyclopropyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119835230
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
CID 119840839
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
2,2,2-trifluoroethyl 4-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 32695486
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119840821) is N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(C(=O)C2CCCNC2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is KAOHFYSMWOOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c23-17(20-16-6-2-1-3-7-16)14-21-9-11-22(12-10-21)18(24)15-5-4-8-19-13-15;;/h1-3,6-7,15,19H,4-5,8-14H2,(H,20,23);2*1H.
What are the key properties of N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119840821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).