2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide

C18H26ClN3O — CID 30851817

IUPAC2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-11-8-15(9-12-21)22-10-4-5-14(13-22)20-18(23)16-6-2-3-7-17(16)19/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAFJWELJCVSMKQZ-CQSZACIVSA-N
MW335.88 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide

2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide (PubChem CID 30851817) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
PubChem CID30851817
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
SMILESCN1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-11-8-15(9-12-21)22-10-4-5-14(13-22)20-18(23)16-6-2-3-7-17(16)19/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyAFJWELJCVSMKQZ-CQSZACIVSA-N
XLogP2.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
5-acetyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56887081
2-chloro-N-cyclopentylbenzamide
CID 669043
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
3-acetyl-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 29028354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide (CID 30851817) is 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide is CN1CCC(N2CCC[C@@H](NC(=O)c3ccccc3Cl)C2)CC1.
What is the InChIKey of 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide?
The InChIKey is AFJWELJCVSMKQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-21-11-8-15(9-12-21)22-10-4-5-14(13-22)20-18(23)16-6-2-3-7-17(16)19/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide?
2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide has a molecular weight of 335.88 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 30851817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).