(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride

C18H27Cl3N4O2 — CID 119871472

IUPAC(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCCN1
InChIInChI=1S/C18H25ClN4O2.2ClH/c19-14-4-6-15(7-5-14)22-9-11-23(12-10-22)17(24)13-21-18(25)16-3-1-2-8-20-16;;/h4-7,16,20H,1-3,8-13H2,(H,21,25);2*1H/t16-;;/m1../s1
InChIKeyJGYQSTNFTPXXEK-GGMCWBHBSA-N
MW437.80 g/mol
LogP2.09
Rot. Bonds4

About (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119871472) has the molecular formula C18H27Cl3N4O2 and a molecular weight of 437.80 g/mol. Its IUPAC name is (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119871472
Molecular FormulaC18H27Cl3N4O2
Molecular Weight437.80 g/mol
Exact Mass436.12
IUPAC Name(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCCN1
InChIInChI=1S/C18H25ClN4O2.2ClH/c19-14-4-6-15(7-5-14)22-9-11-23(12-10-22)17(24)13-21-18(25)16-3-1-2-8-20-16;;/h4-7,16,20H,1-3,8-13H2,(H,21,25);2*1H/t16-;;/m1../s1
InChIKeyJGYQSTNFTPXXEK-GGMCWBHBSA-N
XLogP2.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride (CID 119871472) is (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is JGYQSTNFTPXXEK-GGMCWBHBSA-N. The full InChI is InChI=1S/C18H25ClN4O2.2ClH/c19-14-4-6-15(7-5-14)22-9-11-23(12-10-22)17(24)13-21-18(25)16-3-1-2-8-20-16;;/h4-7,16,20H,1-3,8-13H2,(H,21,25);2*1H/t16-;;/m1../s1.
What are the key properties of (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 437.80 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119871472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).