5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide

C29H37ClN4O2 — CID 173218509

IUPAC5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1CCC(=O)N1CCN(c2ccccc2CCNC(C2CC2)C2CC2)CC1
InChIInChI=1S/C29H37ClN4O2/c30-24-11-9-20(25(19-24)29(31)36)10-12-27(35)34-17-15-33(16-18-34)26-4-2-1-3-21(26)13-14-32-28(22-5-6-22)23-7-8-23/h1-4,9,11,19,22-23,28,32H,5-8,10,12-18H2,(H2,31,36)
InChIKeyQLUUIJAMRQPWNO-UHFFFAOYSA-N
MW509.09 g/mol
LogP4.04
Rot. Bonds11

About 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide

5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 173218509) has the molecular formula C29H37ClN4O2 and a molecular weight of 509.09 g/mol. Its IUPAC name is 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide
PubChem CID173218509
Molecular FormulaC29H37ClN4O2
Molecular Weight509.09 g/mol
Exact Mass508.26
IUPAC Name5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1CCC(=O)N1CCN(c2ccccc2CCNC(C2CC2)C2CC2)CC1
InChIInChI=1S/C29H37ClN4O2/c30-24-11-9-20(25(19-24)29(31)36)10-12-27(35)34-17-15-33(16-18-34)26-4-2-1-3-21(26)13-14-32-28(22-5-6-22)23-7-8-23/h1-4,9,11,19,22-23,28,32H,5-8,10,12-18H2,(H2,31,36)
InChIKeyQLUUIJAMRQPWNO-UHFFFAOYSA-N
XLogP4.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.09
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]ethylamino]-5-cyclopropyl-2-methylpentanamide
CID 173218584
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68791115
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 173218509) is 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide is NC(=O)c1cc(Cl)ccc1CCC(=O)N1CCN(c2ccccc2CCNC(C2CC2)C2CC2)CC1.
What is the InChIKey of 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is QLUUIJAMRQPWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN4O2/c30-24-11-9-20(25(19-24)29(31)36)10-12-27(35)34-17-15-33(16-18-34)26-4-2-1-3-21(26)13-14-32-28(22-5-6-22)23-7-8-23/h1-4,9,11,19,22-23,28,32H,5-8,10,12-18H2,(H2,31,36).
What are the key properties of 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide?
5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 509.09 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[4-[2-[2-(dicyclopropylmethylamino)ethyl]phenyl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 173218509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).