4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride

C20H32Cl2N4O3 — CID 119870712

IUPAC4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-27-20(8-11-21-12-9-20)19(26)22-10-7-18(25)24-15-13-23(14-16-24)17-5-3-2-4-6-17;;/h2-6,21H,7-16H2,1H3,(H,22,26);2*1H
InChIKeyCBPAJXKGBXSJGU-UHFFFAOYSA-N
MW447.41 g/mol
LogP1.45
Rot. Bonds6

About 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119870712) has the molecular formula C20H32Cl2N4O3 and a molecular weight of 447.41 g/mol. Its IUPAC name is 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119870712
Molecular FormulaC20H32Cl2N4O3
Molecular Weight447.41 g/mol
Exact Mass446.19
IUPAC Name4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30N4O3.2ClH/c1-27-20(8-11-21-12-9-20)19(26)22-10-7-18(25)24-15-13-23(14-16-24)17-5-3-2-4-6-17;;/h2-6,21H,7-16H2,1H3,(H,22,26);2*1H
InChIKeyCBPAJXKGBXSJGU-UHFFFAOYSA-N
XLogP1.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
1-amino-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119870682
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 95284102
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
CID 119778256
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119870654
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride (CID 119870712) is 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is CBPAJXKGBXSJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.2ClH/c1-27-20(8-11-21-12-9-20)19(26)22-10-7-18(25)24-15-13-23(14-16-24)17-5-3-2-4-6-17;;/h2-6,21H,7-16H2,1H3,(H,22,26);2*1H.
What are the key properties of 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 447.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119870712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).