carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride

C20H34Cl2N4O4 — CID 67751020

IUPACcarbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride
SMILESCl.Cl.O=C(CCCN1CCN(c2ccncc2)CC1)NC1CCCCC1.O=C(O)O
InChIInChI=1S/C19H30N4O.CH2O3.2ClH/c24-19(21-17-5-2-1-3-6-17)7-4-12-22-13-15-23(16-14-22)18-8-10-20-11-9-18;2-1(3)4;;/h8-11,17H,1-7,12-16H2,(H,21,24);(H2,2,3,4);2*1H
InChIKeyQWZYTWVWLFHXSW-UHFFFAOYSA-N
MW465.42 g/mol
LogP3.50
Rot. Bonds6

About carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride

carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride (PubChem CID 67751020) has the molecular formula C20H34Cl2N4O4 and a molecular weight of 465.42 g/mol. Its IUPAC name is carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Namecarbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride
PubChem CID67751020
Molecular FormulaC20H34Cl2N4O4
Molecular Weight465.42 g/mol
Exact Mass464.20
IUPAC Namecarbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride
SMILESCl.Cl.O=C(CCCN1CCN(c2ccncc2)CC1)NC1CCCCC1.O=C(O)O
InChIInChI=1S/C19H30N4O.CH2O3.2ClH/c24-19(21-17-5-2-1-3-6-17)7-4-12-22-13-15-23(16-14-22)18-8-10-20-11-9-18;2-1(3)4;;/h8-11,17H,1-7,12-16H2,(H,21,24);(H2,2,3,4);2*1H
InChIKeyQWZYTWVWLFHXSW-UHFFFAOYSA-N
XLogP3.50
TPSA106.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride?
The IUPAC name of carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride (CID 67751020) is carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride.
What is the SMILES notation for carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride?
The canonical SMILES for carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride is Cl.Cl.O=C(CCCN1CCN(c2ccncc2)CC1)NC1CCCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride?
The InChIKey is QWZYTWVWLFHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.CH2O3.2ClH/c24-19(21-17-5-2-1-3-6-17)7-4-12-22-13-15-23(16-14-22)18-8-10-20-11-9-18;2-1(3)4;;/h8-11,17H,1-7,12-16H2,(H,21,24);(H2,2,3,4);2*1H.
What are the key properties of carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride?
carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride has a molecular weight of 465.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-cyclohexyl-4-(4-pyridin-4-ylpiperazin-1-yl)butanamide;dihydrochloride is sourced from PubChem (CID 67751020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).