ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate

C20H24ClN3O2 — CID 56679465

IUPACethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-20(25)23-18-9-12-24(13-10-18)19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19H,2,9-10,12-13H2,1H3,(H,23,25)
InChIKeySZOPYPRIVNHWPE-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.03
Rot. Bonds5

About ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate

ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate (PubChem CID 56679465) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate
PubChem CID56679465
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Nameethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-2-26-20(25)23-18-9-12-24(13-10-18)19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19H,2,9-10,12-13H2,1H3,(H,23,25)
InChIKeySZOPYPRIVNHWPE-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]urea
CID 56676121
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 56672770
ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 10318399
phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
ethyl 1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate
CID 3229294
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
CID 46100874
N-[1-(2-methylpropyl)piperidin-4-yl]-2-pyridin-3-ylpropanamide
CID 136529734
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate (CID 56679465) is ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate?
The InChIKey is SZOPYPRIVNHWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-26-20(25)23-18-9-12-24(13-10-18)19(16-4-3-11-22-14-16)15-5-7-17(21)8-6-15/h3-8,11,14,18-19H,2,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate?
ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate has a molecular weight of 373.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 56679465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).