3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride

C19H36Cl2N4O3 — CID 67762666

IUPAC3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCC1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3.2ClH/c24-18(25)6-3-15-1-4-16(5-2-15)21-19(26)23-13-11-22(12-14-23)17-7-9-20-10-8-17;;/h15-17,20H,1-14H2,(H,21,26)(H,24,25);2*1H
InChIKeyCRRUKJGZGHMPBX-UHFFFAOYSA-N
MW439.43 g/mol
LogP2.33
Rot. Bonds5

About 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride

3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride (PubChem CID 67762666) has the molecular formula C19H36Cl2N4O3 and a molecular weight of 439.43 g/mol. Its IUPAC name is 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
PubChem CID67762666
Molecular FormulaC19H36Cl2N4O3
Molecular Weight439.43 g/mol
Exact Mass438.22
IUPAC Name3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CCC1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3.2ClH/c24-18(25)6-3-15-1-4-16(5-2-15)21-19(26)23-13-11-22(12-14-23)17-7-9-20-10-8-17;;/h15-17,20H,1-14H2,(H,21,26)(H,24,25);2*1H
InChIKeyCRRUKJGZGHMPBX-UHFFFAOYSA-N
XLogP2.33
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride with MolForge

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Related Compounds

3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoic acid;dihydrochloride
CID 67762474
[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
CID 174395143
2-[4-[3-oxo-3-(4-piperidin-4-ylpiperazin-1-yl)propyl]piperidin-1-yl]acetic acid;trihydrochloride
CID 139782779
methyl 3-[4-[(1-piperidin-4-ylpiperidine-4-carbonyl)amino]cyclohexyl]propanoate;dihydrochloride
CID 67844736
3-[1-(oxan-4-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62216069
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154904810
1-ethyl-2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidine-4-carboxylic acid
CID 67598648
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
2-[2-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]anilino]acetic acid
CID 67598581
3-[4-[(4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844654
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride?
The IUPAC name of 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride (CID 67762666) is 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride.
What is the SMILES notation for 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride?
The canonical SMILES for 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride is Cl.Cl.O=C(O)CCC1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride?
The InChIKey is CRRUKJGZGHMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3.2ClH/c24-18(25)6-3-15-1-4-16(5-2-15)21-19(26)23-13-11-22(12-14-23)17-7-9-20-10-8-17;;/h15-17,20H,1-14H2,(H,21,26)(H,24,25);2*1H.
What are the key properties of 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride?
3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride has a molecular weight of 439.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]cyclohexyl]propanoic acid;dihydrochloride is sourced from PubChem (CID 67762666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).