methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate

C14H21N3O3 — CID 106504838

IUPACmethyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2ccc(OC)cn2)CC1
InChIInChI=1S/C14H21N3O3/c1-19-12-3-4-13(15-11-12)17-9-7-16(8-10-17)6-5-14(18)20-2/h3-4,11H,5-10H2,1-2H3
InChIKeyZCKOBMQEDUQJIP-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.78
Rot. Bonds5

About methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate

methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate (PubChem CID 106504838) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
PubChem CID106504838
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(c2ccc(OC)cn2)CC1
InChIInChI=1S/C14H21N3O3/c1-19-12-3-4-13(15-11-12)17-9-7-16(8-10-17)6-5-14(18)20-2/h3-4,11H,5-10H2,1-2H3
InChIKeyZCKOBMQEDUQJIP-UHFFFAOYSA-N
XLogP0.78
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
CID 81422160
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 106503661
methyl 3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanoate
CID 104843535
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-[1-(5-methoxy-2-pyridinyl)piperidin-4-ylidene]hydroxylamine
CID 106503919
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 153358176
methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
CID 113331263
1-(4-methoxyphenyl)-3-[6-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]urea
CID 42857732

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate (CID 106504838) is methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(c2ccc(OC)cn2)CC1.
What is the InChIKey of methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate?
The InChIKey is ZCKOBMQEDUQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-3-4-13(15-11-12)17-9-7-16(8-10-17)6-5-14(18)20-2/h3-4,11H,5-10H2,1-2H3.
What are the key properties of methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate?
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate has a molecular weight of 279.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 106504838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).