1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C16H27N3O2 — CID 71983813

IUPAC1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC(C)OCCN1CCN(C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C16H27N3O2/c1-14(2)21-12-11-18-7-9-19(10-8-18)15(20)16(13-17)5-3-4-6-16/h14H,3-12H2,1-2H3
InChIKeyRODAGKSPEHOHPB-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.64
Rot. Bonds5

About 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 71983813) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID71983813
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCC(C)OCCN1CCN(C(=O)C2(C#N)CCCC2)CC1
InChIInChI=1S/C16H27N3O2/c1-14(2)21-12-11-18-7-9-19(10-8-18)15(20)16(13-17)5-3-4-6-16/h14H,3-12H2,1-2H3
InChIKeyRODAGKSPEHOHPB-UHFFFAOYSA-N
XLogP1.64
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 71983813) is 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is CC(C)OCCN1CCN(C(=O)C2(C#N)CCCC2)CC1.
What is the InChIKey of 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is RODAGKSPEHOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14(2)21-12-11-18-7-9-19(10-8-18)15(20)16(13-17)5-3-4-6-16/h14H,3-12H2,1-2H3.
What are the key properties of 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 293.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 71983813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).