3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C18H24N4O — CID 4911068

IUPAC3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1
InChIInChI=1S/C18H24N4O/c1-12(2)17-15-6-4-5-14(15)16(11-19)18(20-17)22-9-7-21(8-10-22)13(3)23/h12H,4-10H2,1-3H3
InChIKeyFUKUMWZGRQMKFU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.23
Rot. Bonds2

About 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 4911068) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID4911068
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1
InChIInChI=1S/C18H24N4O/c1-12(2)17-15-6-4-5-14(15)16(11-19)18(20-17)22-9-7-21(8-10-22)13(3)23/h12H,4-10H2,1-3H3
InChIKeyFUKUMWZGRQMKFU-UHFFFAOYSA-N
XLogP2.23
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 4911068) is 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCC3)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is FUKUMWZGRQMKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)17-15-6-4-5-14(15)16(11-19)18(20-17)22-9-7-21(8-10-22)13(3)23/h12H,4-10H2,1-3H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 312.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 4911068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).