N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide

C17H28N4O2 — CID 99838420

IUPACN-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C17H28N4O2/c1-4-14(2)19-16(22)13-21-10-8-20(9-11-21)12-15-6-5-7-18-17(15)23-3/h5-7,14H,4,8-13H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyCDCZSMWCOXTAKB-CQSZACIVSA-N
MW320.44 g/mol
LogP1.12
Rot. Bonds7

About N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide

N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide (PubChem CID 99838420) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
PubChem CID99838420
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1CCN(Cc2cccnc2OC)CC1
InChIInChI=1S/C17H28N4O2/c1-4-14(2)19-16(22)13-21-10-8-20(9-11-21)12-15-6-5-7-18-17(15)23-3/h5-7,14H,4,8-13H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyCDCZSMWCOXTAKB-CQSZACIVSA-N
XLogP1.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
N-butan-2-yl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 134043905
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide (CID 99838420) is N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide is CC[C@@H](C)NC(=O)CN1CCN(Cc2cccnc2OC)CC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is CDCZSMWCOXTAKB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-14(2)19-16(22)13-21-10-8-20(9-11-21)12-15-6-5-7-18-17(15)23-3/h5-7,14H,4,8-13H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide?
N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 99838420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).