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

C19H35N5O3 — CID 57219456

IUPACmethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N5O3/c1-27-18(25)6-11-22-9-4-16(5-10-22)21-19(26)24-14-12-23(13-15-24)17-2-7-20-8-3-17/h16-17,20H,2-15H2,1H3,(H,21,26)
InChIKeyCDIYBJYGQZBPSN-UHFFFAOYSA-N
MW381.52 g/mol
LogP0.09
Rot. Bonds5

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

methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate (PubChem CID 57219456) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate
PubChem CID57219456
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Namemethyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N5O3/c1-27-18(25)6-11-22-9-4-16(5-10-22)21-19(26)24-14-12-23(13-15-24)17-2-7-20-8-3-17/h16-17,20H,2-15H2,1H3,(H,21,26)
InChIKeyCDIYBJYGQZBPSN-UHFFFAOYSA-N
XLogP0.09
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate (CID 57219456) is methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate is COC(=O)CCN1CCC(NC(=O)N2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate?
The InChIKey is CDIYBJYGQZBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-27-18(25)6-11-22-9-4-16(5-10-22)21-19(26)24-14-12-23(13-15-24)17-2-7-20-8-3-17/h16-17,20H,2-15H2,1H3,(H,21,26).
What are the key properties of methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate?
methyl 3-[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl]propanoate has a molecular weight of 381.52 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 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)amino]piperidin-1-yl]propanoate is sourced from PubChem (CID 57219456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).