(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

C19H34ClN5O2 — CID 120997457

IUPAC(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H33N5O2.ClH/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22;/h16-17,20H,1-15H2;1H
InChIKeyPAYXCENUOFPGIW-UHFFFAOYSA-N
MW399.97 g/mol
LogP0.84
Rot. Bonds2

About (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120997457) has the molecular formula C19H34ClN5O2 and a molecular weight of 399.97 g/mol. Its IUPAC name is (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120997457
Molecular FormulaC19H34ClN5O2
Molecular Weight399.97 g/mol
Exact Mass399.24
IUPAC Name(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H33N5O2.ClH/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22;/h16-17,20H,1-15H2;1H
InChIKeyPAYXCENUOFPGIW-UHFFFAOYSA-N
XLogP0.84
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 120997457) is (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is Cl.O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is PAYXCENUOFPGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2.ClH/c25-18(24-12-5-17(15-24)21-13-6-20-7-14-21)16-3-10-23(11-4-16)19(26)22-8-1-2-9-22;/h16-17,20H,1-15H2;1H.
What are the key properties of (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
(3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 399.97 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).