3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile

C15H26N4O — CID 115348003

IUPAC3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C15H26N4O/c16-7-3-9-18-10-12-19(13-11-18)15(20)6-5-14-4-1-2-8-17-14/h14,17H,1-6,8-13H2
InChIKeyKVPDLWCQQXAMII-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.97
Rot. Bonds5

About 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile

3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile (PubChem CID 115348003) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
PubChem CID115348003
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
SMILESN#CCCN1CCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C15H26N4O/c16-7-3-9-18-10-12-19(13-11-18)15(20)6-5-14-4-1-2-8-17-14/h14,17H,1-6,8-13H2
InChIKeyKVPDLWCQQXAMII-UHFFFAOYSA-N
XLogP0.97
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996
1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 106668830
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
CID 114797531
2-[1-(3-piperidin-2-ylpropanoyl)azetidin-3-yl]acetic acid
CID 64605626
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
methyl 4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanoate
CID 54788082
4-[4-(2-cyanoethyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 4740709
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110898395

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile (CID 115348003) is 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile is N#CCCN1CCN(C(=O)CCC2CCCCN2)CC1.
What is the InChIKey of 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile?
The InChIKey is KVPDLWCQQXAMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c16-7-3-9-18-10-12-19(13-11-18)15(20)6-5-14-4-1-2-8-17-14/h14,17H,1-6,8-13H2.
What are the key properties of 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile?
3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile has a molecular weight of 278.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 115348003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).