methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride

C19H35ClN4O3 — CID 139782750

IUPACmethyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride
SMILESCOC(=O)CCN1CCC(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl
InChIInChI=1S/C19H34N4O3.ClH/c1-26-18(24)6-11-21-9-4-16(5-10-21)19(25)23-14-12-22(13-15-23)17-2-7-20-8-3-17;/h16-17,20H,2-15H2,1H3;1H
InChIKeyKBRXQGQGZAVIER-UHFFFAOYSA-N
MW402.97 g/mol
LogP0.58
Rot. Bonds5

About methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride

methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride (PubChem CID 139782750) has the molecular formula C19H35ClN4O3 and a molecular weight of 402.97 g/mol. Its IUPAC name is methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride
PubChem CID139782750
Molecular FormulaC19H35ClN4O3
Molecular Weight402.97 g/mol
Exact Mass402.24
IUPAC Namemethyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride
SMILESCOC(=O)CCN1CCC(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl
InChIInChI=1S/C19H34N4O3.ClH/c1-26-18(24)6-11-21-9-4-16(5-10-21)19(25)23-14-12-22(13-15-23)17-2-7-20-8-3-17;/h16-17,20H,2-15H2,1H3;1H
InChIKeyKBRXQGQGZAVIER-UHFFFAOYSA-N
XLogP0.58
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride (CID 139782750) is methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride is COC(=O)CCN1CCC(C(=O)N2CCN(C3CCNCC3)CC2)CC1.Cl.
What is the InChIKey of methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride?
The InChIKey is KBRXQGQGZAVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3.ClH/c1-26-18(24)6-11-21-9-4-16(5-10-21)19(25)23-14-12-22(13-15-23)17-2-7-20-8-3-17;/h16-17,20H,2-15H2,1H3;1H.
What are the key properties of methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride?
methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]propanoate;hydrochloride is sourced from PubChem (CID 139782750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).