[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride

C20H31ClN4O3 — CID 174209807

IUPAC[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)NC(C(=O)N1CCNCC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H30N4O3.ClH/c25-19(24-14-9-21-10-15-24)18(22-20(26)27)17-7-12-23(13-8-17)11-6-16-4-2-1-3-5-16;/h1-5,17-18,21-22H,6-15H2,(H,26,27);1H
InChIKeyLXPJBXNMKAMTIT-UHFFFAOYSA-N
MW410.95 g/mol
LogP1.43
Rot. Bonds6

About [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride

[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride (PubChem CID 174209807) has the molecular formula C20H31ClN4O3 and a molecular weight of 410.95 g/mol. Its IUPAC name is [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride
PubChem CID174209807
Molecular FormulaC20H31ClN4O3
Molecular Weight410.95 g/mol
Exact Mass410.21
IUPAC Name[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)NC(C(=O)N1CCNCC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H30N4O3.ClH/c25-19(24-14-9-21-10-15-24)18(22-20(26)27)17-7-12-23(13-8-17)11-6-16-4-2-1-3-5-16;/h1-5,17-18,21-22H,6-15H2,(H,26,27);1H
InChIKeyLXPJBXNMKAMTIT-UHFFFAOYSA-N
XLogP1.43
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride?
The IUPAC name of [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride (CID 174209807) is [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride.
What is the SMILES notation for [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride?
The canonical SMILES for [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride is Cl.O=C(O)NC(C(=O)N1CCNCC1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride?
The InChIKey is LXPJBXNMKAMTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.ClH/c25-19(24-14-9-21-10-15-24)18(22-20(26)27)17-7-12-23(13-8-17)11-6-16-4-2-1-3-5-16;/h1-5,17-18,21-22H,6-15H2,(H,26,27);1H.
What are the key properties of [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride?
[2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]-2-piperazin-1-ylethyl]carbamic acid;hydrochloride is sourced from PubChem (CID 174209807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).