N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide

C19H30N4O2 — CID 131897807

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CCCN3CCCCC3=O)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-15-12-16(2)23(21-15)14-19(8-9-19)13-20-17(24)6-5-11-22-10-4-3-7-18(22)25/h12H,3-11,13-14H2,1-2H3,(H,20,24)
InChIKeyIVUZWNQSRRGAFA-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.19
Rot. Bonds8

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 131897807) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID131897807
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CCCN3CCCCC3=O)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-15-12-16(2)23(21-15)14-19(8-9-19)13-20-17(24)6-5-11-22-10-4-3-7-18(22)25/h12H,3-11,13-14H2,1-2H3,(H,20,24)
InChIKeyIVUZWNQSRRGAFA-UHFFFAOYSA-N
XLogP2.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
1-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445107
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
(1S,3R,4R)-3-amino-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939781
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154571566
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide
CID 55688364
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
CID 72930030
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
CID 77081747

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 131897807) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide is Cc1cc(C)n(CC2(CNC(=O)CCCN3CCCCC3=O)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is IVUZWNQSRRGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-12-16(2)23(21-15)14-19(8-9-19)13-20-17(24)6-5-11-22-10-4-3-7-18(22)25/h12H,3-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 346.48 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 131897807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).