3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C23H28Cl2N4O — CID 53307301

IUPAC3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H28Cl2N4O/c24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h4-6,13-15,17H,1-3,7-12,16H2,(H,27,30)
InChIKeyMBSWYTUPIGYTDG-UHFFFAOYSA-N
MW447.41 g/mol
LogP5.34
Rot. Bonds5

About 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide

3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 53307301) has the molecular formula C23H28Cl2N4O and a molecular weight of 447.41 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID53307301
Molecular FormulaC23H28Cl2N4O
Molecular Weight447.41 g/mol
Exact Mass446.16
IUPAC Name3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H28Cl2N4O/c24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h4-6,13-15,17H,1-3,7-12,16H2,(H,27,30)
InChIKeyMBSWYTUPIGYTDG-UHFFFAOYSA-N
XLogP5.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[5-chloro-2-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 67341438
1-[5-chloro-3-[(3-chlorobenzoyl)amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 67344796
3-chloro-N-[5-chloro-2-[4-[2-(4-formyl-1,4-diazepan-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 87363267
3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 159708927
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
3-chloro-N-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67322741
3-chloro-N-[2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-5-pyridin-3-yl-3-pyridinyl]benzamide
CID 67341091
5-[(3-chlorobenzoyl)amino]-N-cyclopropyl-6-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 67344639
3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 77270238
3-chloro-N-[5-methylsulfonyl-2-[4-[(4S)-2-oxo-4-phenylpentyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 158313477
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 50783439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 53307301) is 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1cc(Cl)cnc1N1CCC(CN2CCCCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is MBSWYTUPIGYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O/c24-19-6-4-5-18(13-19)23(30)27-21-14-20(25)15-26-22(21)29-11-7-17(8-12-29)16-28-9-2-1-3-10-28/h4-6,13-15,17H,1-3,7-12,16H2,(H,27,30).
What are the key properties of 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 447.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 53307301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).