(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide

C19H30N4O4 — CID 124891801

IUPAC(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCOc1cc(C(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)ccn1
InChIInChI=1S/C19H30N4O4/c1-14(2)21-18(24)15(3)22-7-9-23(10-8-22)19(25)16-5-6-20-17(13-16)27-12-11-26-4/h5-6,13-15H,7-12H2,1-4H3,(H,21,24)/t15-/m1/s1
InChIKeyGRWPVCUMQIOELS-OAHLLOKOSA-N
MW378.47 g/mol
LogP0.78
Rot. Bonds8

About (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide

(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 124891801) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID124891801
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide
SMILESCOCCOc1cc(C(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)ccn1
InChIInChI=1S/C19H30N4O4/c1-14(2)21-18(24)15(3)22-7-9-23(10-8-22)19(25)16-5-6-20-17(13-16)27-12-11-26-4/h5-6,13-15H,7-12H2,1-4H3,(H,21,24)/t15-/m1/s1
InChIKeyGRWPVCUMQIOELS-OAHLLOKOSA-N
XLogP0.78
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512802
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
(2-fluoro-4-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 61292545
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 172892794
[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 139011439
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide (CID 124891801) is (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide is COCCOc1cc(C(=O)N2CCN([C@H](C)C(=O)NC(C)C)CC2)ccn1.
What is the InChIKey of (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is GRWPVCUMQIOELS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-14(2)21-18(24)15(3)22-7-9-23(10-8-22)19(25)16-5-6-20-17(13-16)27-12-11-26-4/h5-6,13-15H,7-12H2,1-4H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide?
(2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 378.47 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(2-methoxyethoxy)pyridine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 124891801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).