N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide

C16H28N4O — CID 72907985

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCN(CCc1cnn(C)c1)C(=O)CCCN1CCCCC1
InChIInChI=1S/C16H28N4O/c1-18(12-8-15-13-17-19(2)14-15)16(21)7-6-11-20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3
InChIKeyNVWOBUKOSTTXLL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.69
Rot. Bonds7

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide (PubChem CID 72907985) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
PubChem CID72907985
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESCN(CCc1cnn(C)c1)C(=O)CCCN1CCCCC1
InChIInChI=1S/C16H28N4O/c1-18(12-8-15-13-17-19(2)14-15)16(21)7-6-11-20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3
InChIKeyNVWOBUKOSTTXLL-UHFFFAOYSA-N
XLogP1.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 72904220
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72907952
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
CID 111543280
(2R)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxolane-2-carboxamide
CID 126437889
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-piperidin-1-ylbutanamide
CID 72932463
N,N-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanamide
CID 80689002
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
methyl 4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoate
CID 103013993
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide (CID 72907985) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide is CN(CCc1cnn(C)c1)C(=O)CCCN1CCCCC1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
The InChIKey is NVWOBUKOSTTXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18(12-8-15-13-17-19(2)14-15)16(21)7-6-11-20-9-4-3-5-10-20/h13-14H,3-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide has a molecular weight of 292.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72907985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).