(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone

C20H31N3O — CID 113231360

IUPAC(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H31N3O/c1-2-8-20(9-11-21-12-10-20)19(24)23-15-13-22(14-16-23)17-18-6-4-3-5-7-18/h3-7,21H,2,8-17H2,1H3
InChIKeyRTBLHEVZCTVSKZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.50
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone

(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 113231360) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID113231360
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H31N3O/c1-2-8-20(9-11-21-12-10-20)19(24)23-15-13-22(14-16-23)17-18-6-4-3-5-7-18/h3-7,21H,2,8-17H2,1H3
InChIKeyRTBLHEVZCTVSKZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640711
4-(4-propylpiperidine-4-carbonyl)piperazine-1-sulfonamide
CID 63128829
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63129218
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640799

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone (CID 113231360) is (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CCN(Cc3ccccc3)CC2)CCNCC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is RTBLHEVZCTVSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-8-20(9-11-21-12-10-20)19(24)23-15-13-22(14-16-23)17-18-6-4-3-5-7-18/h3-7,21H,2,8-17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 329.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 113231360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).