4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C25H34N4O2 — CID 53307637

IUPAC4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-31-22-9-7-21(8-10-22)25(30)27-23-6-5-14-26-24(23)29-18-12-20(13-19-29)11-17-28-15-3-2-4-16-28/h5-10,14,20H,2-4,11-13,15-19H2,1H3,(H,27,30)
InChIKeyRVRQHSZHGWOISI-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.43
Rot. Bonds7

About 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide

4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 53307637) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID53307637
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N4O2/c1-31-22-9-7-21(8-10-22)25(30)27-23-6-5-14-26-24(23)29-18-12-20(13-19-29)11-17-28-15-3-2-4-16-28/h5-10,14,20H,2-4,11-13,15-19H2,1H3,(H,27,30)
InChIKeyRVRQHSZHGWOISI-UHFFFAOYSA-N
XLogP4.43
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307548
3,5-dichloro-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 53307462
4-methyl-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 53307373
5-[(4-methoxybenzoyl)amino]-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid
CID 50806956
N-[3-chloro-7-methyl-8-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]cycloocta-1,3,7-trien-1-yl]-4-methoxybenzamide
CID 123320434
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 50783439
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
6-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 111338627
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
4-methoxy-N-[2-[1-(1-methylpiperidin-2-yl)propan-2-yl]phenyl]benzamide
CID 20560090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 53307637) is 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2cccnc2N2CCC(CCN3CCCCC3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is RVRQHSZHGWOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-22-9-7-21(8-10-22)25(30)27-23-6-5-14-26-24(23)29-18-12-20(13-19-29)11-17-28-15-3-2-4-16-28/h5-10,14,20H,2-4,11-13,15-19H2,1H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 53307637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).