(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one

C20H34N6O2 — CID 75411797

IUPAC(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cnn(C)c3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3/t17-,18-/m1/s1
InChIKeyJIYPGVQIZSHZSQ-QZTJIDSGSA-N
MW390.53 g/mol
LogP0.30
Rot. Bonds4

About (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one

(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one (PubChem CID 75411797) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one.

Molecular Properties

Compound Name(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
PubChem CID75411797
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one
SMILESCN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cnn(C)c3)CN(C)C(=O)C2)CC1
InChIInChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3/t17-,18-/m1/s1
InChIKeyJIYPGVQIZSHZSQ-QZTJIDSGSA-N
XLogP0.30
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one with MolForge

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Related Compounds

1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
3-(1-methyl-2-piperidinyl)-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 72940670
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
N-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743160
8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
CID 118743162
(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411810
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylpyrazol-4-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411826
(1S,11R)-2-[3-(4-methylpyrazol-1-yl)propanoyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201268
1-[2-(4-Methyl-1H-pyrazol-1-YL)acetyl]-tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201269

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The IUPAC name of (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one (CID 75411797) is (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one.
What is the SMILES notation for (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The canonical SMILES for (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one is CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cnn(C)c3)CN(C)C(=O)C2)CC1.
What is the InChIKey of (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
The InChIKey is JIYPGVQIZSHZSQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-23-7-9-26(10-8-23)20(28)17-5-4-6-18(15-24(2)19(27)11-17)21-12-16-13-22-25(3)14-16/h13-14,17-18,21H,4-12,15H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one?
(4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one has a molecular weight of 390.53 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-1-methyl-4-(4-methylpiperazine-1-carbonyl)-8-[(1-methylpyrazol-4-yl)methylamino]azonan-2-one is sourced from PubChem (CID 75411797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).