2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride

C17H25Cl2N3O2 — CID 154896397

IUPAC2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@H]1O)c1cc(N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c18-14-5-4-12(21-8-2-1-3-9-21)10-13(14)17(23)20-15-6-7-19-11-16(15)22;/h4-5,10,15-16,19,22H,1-3,6-9,11H2,(H,20,23);1H/t15-,16-;/m1./s1
InChIKeyTWCBSZDMYZRSQX-QNBGGDODSA-N
MW374.31 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride

2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride (PubChem CID 154896397) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride
PubChem CID154896397
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride
SMILESCl.O=C(N[C@@H]1CCNC[C@H]1O)c1cc(N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c18-14-5-4-12(21-8-2-1-3-9-21)10-13(14)17(23)20-15-6-7-19-11-16(15)22;/h4-5,10,15-16,19,22H,1-3,6-9,11H2,(H,20,23);1H/t15-,16-;/m1./s1
InChIKeyTWCBSZDMYZRSQX-QNBGGDODSA-N
XLogP2.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
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CID 79689600
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
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2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
2-chloro-5-piperidin-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70719066
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 124702358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride (CID 154896397) is 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride is Cl.O=C(N[C@@H]1CCNC[C@H]1O)c1cc(N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride?
The InChIKey is TWCBSZDMYZRSQX-QNBGGDODSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c18-14-5-4-12(21-8-2-1-3-9-21)10-13(14)17(23)20-15-6-7-19-11-16(15)22;/h4-5,10,15-16,19,22H,1-3,6-9,11H2,(H,20,23);1H/t15-,16-;/m1./s1.
What are the key properties of 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride?
2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 154896397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).