4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide

C18H27ClN4O2 — CID 121498779

IUPAC4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
SMILESO=C(NCCCCC1CCCO1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H27ClN4O2/c19-15-6-7-17(21-14-15)22-9-11-23(12-10-22)18(24)20-8-2-1-4-16-5-3-13-25-16/h6-7,14,16H,1-5,8-13H2,(H,20,24)
InChIKeyOILKFOHHCHAZBH-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.92
Rot. Bonds6

About 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide (PubChem CID 121498779) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
PubChem CID121498779
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide
SMILESO=C(NCCCCC1CCCO1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H27ClN4O2/c19-15-6-7-17(21-14-15)22-9-11-23(12-10-22)18(24)20-8-2-1-4-16-5-3-13-25-16/h6-7,14,16H,1-5,8-13H2,(H,20,24)
InChIKeyOILKFOHHCHAZBH-UHFFFAOYSA-N
XLogP2.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
4-(3,6-dimethylpyrazin-2-yl)-N-[4-[(2S)-oxolan-2-yl]butyl]piperazine-1-carboxamide
CID 126430553
4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
CID 86850577
4-(5-chloro-2-pyridinyl)-N-(2,3-dimethylbutyl)piperazine-1-carboxamide
CID 75464207
6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817689
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
4-(5-chloro-2-pyridinyl)-N-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 75464215
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
1-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 170221716
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide (CID 121498779) is 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide is O=C(NCCCCC1CCCO1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide?
The InChIKey is OILKFOHHCHAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c19-15-6-7-17(21-14-15)22-9-11-23(12-10-22)18(24)20-8-2-1-4-16-5-3-13-25-16/h6-7,14,16H,1-5,8-13H2,(H,20,24).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[4-(oxolan-2-yl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 121498779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).