ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate

C17H24Cl2N2O2 — CID 120853371

IUPACethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(Cc1cc(Cl)cc(Cl)c1)NCC1CCNCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-2-23-17(22)16(21-11-12-3-5-20-6-4-12)9-13-7-14(18)10-15(19)8-13/h7-8,10,12,16,20-21H,2-6,9,11H2,1H3
InChIKeyRGDCNGWZLMFKFH-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.06
Rot. Bonds7

About ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate

ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate (PubChem CID 120853371) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate
PubChem CID120853371
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Nameethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)C(Cc1cc(Cl)cc(Cl)c1)NCC1CCNCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-2-23-17(22)16(21-11-12-3-5-20-6-4-12)9-13-7-14(18)10-15(19)8-13/h7-8,10,12,16,20-21H,2-6,9,11H2,1H3
InChIKeyRGDCNGWZLMFKFH-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(3,5-dichlorophenyl)-1-ethoxy-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 122033369
ethyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-3-(3,5-dichlorophenyl)propanoate
CID 120796602
ethyl 2-[[3,5-dichloro-2-hydroxy-4-(3-piperidin-4-ylpropyl)benzoyl]amino]-3-phenylpropanoate
CID 22094833
ethyl (2R)-2-[[3,5-dichloro-2-hydroxy-4-(2-piperidin-4-ylethoxy)benzoyl]amino]-3-phenylpropanoate
CID 59901922
1-phenyl-3-(piperidin-4-ylmethylamino)pentan-2-one
CID 90810257
1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707723
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
N-(3,5-dichlorophenyl)-N-ethyl-2-piperidin-4-ylacetamide
CID 46179090
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate?
The IUPAC name of ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate (CID 120853371) is ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate is CCOC(=O)C(Cc1cc(Cl)cc(Cl)c1)NCC1CCNCC1.
What is the InChIKey of ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate?
The InChIKey is RGDCNGWZLMFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-2-23-17(22)16(21-11-12-3-5-20-6-4-12)9-13-7-14(18)10-15(19)8-13/h7-8,10,12,16,20-21H,2-6,9,11H2,1H3.
What are the key properties of ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate?
ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate has a molecular weight of 359.30 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dichlorophenyl)-2-(piperidin-4-ylmethylamino)propanoate is sourced from PubChem (CID 120853371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).