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

C16H31N3O — CID 63127821

IUPAC(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCN1CCN(C(=O)C2(CCC)CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-16(6-8-17-9-7-16)15(20)19-13-11-18(10-4-2)12-14-19/h17H,3-14H2,1-2H3
InChIKeySGQLSMFWMFBEQI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

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

(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 63127821) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
PubChem CID63127821
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCN1CCN(C(=O)C2(CCC)CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-16(6-8-17-9-7-16)15(20)19-13-11-18(10-4-2)12-14-19/h17H,3-14H2,1-2H3
InChIKeySGQLSMFWMFBEQI-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
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)-(4-propylpiperidin-4-yl)methanone
CID 113231360
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
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone (CID 63127821) is (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone is CCCN1CCN(C(=O)C2(CCC)CCNCC2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is SGQLSMFWMFBEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-16(6-8-17-9-7-16)15(20)19-13-11-18(10-4-2)12-14-19/h17H,3-14H2,1-2H3.
What are the key properties of (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone?
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 63127821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).