4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide

C14H25N5O — CID 119889292

IUPAC4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
SMILESCNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C14H25N5O/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyJSMBVOJREZGYFG-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.50
Rot. Bonds6

About 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide

4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide (PubChem CID 119889292) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
PubChem CID119889292
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
SMILESCNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1
InChIInChI=1S/C14H25N5O/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyJSMBVOJREZGYFG-UHFFFAOYSA-N
XLogP0.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide (CID 119889292) is 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide is CNCCCC(=O)NC1CCCN(c2cnn(C)c2)C1.
What is the InChIKey of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide?
The InChIKey is JSMBVOJREZGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-15-7-3-6-14(20)17-12-5-4-8-19(10-12)13-9-16-18(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3,(H,17,20).
What are the key properties of 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide?
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide has a molecular weight of 279.39 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide is sourced from PubChem (CID 119889292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).