N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide

C18H30N4O — CID 72867210

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCn1nccc1C1CC1
InChIInChI=1S/C18H30N4O/c1-21-13-3-2-5-16(21)8-9-18(23)19-11-4-14-22-17(10-12-20-22)15-6-7-15/h10,12,15-16H,2-9,11,13-14H2,1H3,(H,19,23)
InChIKeyXIGLPOZZBQNPAK-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.53
Rot. Bonds8

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72867210) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72867210
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCn1nccc1C1CC1
InChIInChI=1S/C18H30N4O/c1-21-13-3-2-5-16(21)8-9-18(23)19-11-4-14-22-17(10-12-20-22)15-6-7-15/h10,12,15-16H,2-9,11,13-14H2,1H3,(H,19,23)
InChIKeyXIGLPOZZBQNPAK-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72867210) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCCCn1nccc1C1CC1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is XIGLPOZZBQNPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-21-13-3-2-5-16(21)8-9-18(23)19-11-4-14-22-17(10-12-20-22)15-6-7-15/h10,12,15-16H,2-9,11,13-14H2,1H3,(H,19,23).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72867210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).