N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide

C16H29N5O — CID 119903136

IUPACN-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
SMILESCNCCCC(=O)N(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H29N5O/c1-17-8-3-5-16(22)19(2)15-6-11-20(12-7-15)13-14-21-10-4-9-18-21/h4,9-10,15,17H,3,5-8,11-14H2,1-2H3
InChIKeyPRQBOAVVVXSPAO-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.81
Rot. Bonds8

About N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide

N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide (PubChem CID 119903136) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
PubChem CID119903136
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
SMILESCNCCCC(=O)N(C)C1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H29N5O/c1-17-8-3-5-16(22)19(2)15-6-11-20(12-7-15)13-14-21-10-4-9-18-21/h4,9-10,15,17H,3,5-8,11-14H2,1-2H3
InChIKeyPRQBOAVVVXSPAO-UHFFFAOYSA-N
XLogP0.81
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303
N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 154796728
N-methyl-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]ethanamine
CID 63853080
5-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 54916159
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 124568865
N-methyl-N-(4-nitrophenyl)-1-(2-pyrazol-1-ylethyl)piperidin-4-amine
CID 133454251
N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide (CID 119903136) is N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide is CNCCCC(=O)N(C)C1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide?
The InChIKey is PRQBOAVVVXSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-17-8-3-5-16(22)19(2)15-6-11-20(12-7-15)13-14-21-10-4-9-18-21/h4,9-10,15,17H,3,5-8,11-14H2,1-2H3.
What are the key properties of N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide?
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide has a molecular weight of 307.44 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 119903136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).