(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine

C22H36ClN5O — CID 174733253

IUPAC(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine
SMILESCCC(C1CCNC1)N1CCNCC1.O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C11H13ClN2O.C11H23N3/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14;1-2-11(10-3-4-13-9-10)14-7-5-12-6-8-14/h1-4,13H,5-8H2;10-13H,2-9H2,1H3
InChIKeyDKDDRJYGOYNWGT-UHFFFAOYSA-N
MW422.02 g/mol
LogP1.67
Rot. Bonds4

About (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine

(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine (PubChem CID 174733253) has the molecular formula C22H36ClN5O and a molecular weight of 422.02 g/mol. Its IUPAC name is (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine.

Molecular Properties

Compound Name(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine
PubChem CID174733253
Molecular FormulaC22H36ClN5O
Molecular Weight422.02 g/mol
Exact Mass421.26
IUPAC Name(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine
SMILESCCC(C1CCNC1)N1CCNCC1.O=C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C11H13ClN2O.C11H23N3/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14;1-2-11(10-3-4-13-9-10)14-7-5-12-6-8-14/h1-4,13H,5-8H2;10-13H,2-9H2,1H3
InChIKeyDKDDRJYGOYNWGT-UHFFFAOYSA-N
XLogP1.67
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.02
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-chlorophenyl)-[4-[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 91921201
1-(4-chlorophenyl)-4-piperazin-1-ylbutane-1,4-dione;hydrochloride
CID 119402634
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146759
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine?
The IUPAC name of (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine (CID 174733253) is (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine.
What is the SMILES notation for (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine?
The canonical SMILES for (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine is CCC(C1CCNC1)N1CCNCC1.O=C(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine?
The InChIKey is DKDDRJYGOYNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O.C11H23N3/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14;1-2-11(10-3-4-13-9-10)14-7-5-12-6-8-14/h1-4,13H,5-8H2;10-13H,2-9H2,1H3.
What are the key properties of (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine?
(4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine has a molecular weight of 422.02 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-piperazin-1-ylmethanone;1-(1-pyrrolidin-3-ylpropyl)piperazine is sourced from PubChem (CID 174733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).