N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide

C25H28ClN3O2 — CID 26405184

IUPACN-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2nc(CN3CCC(CO)(Cc4ccccc4Cl)CC3)ccc12
InChIInChI=1S/C25H28ClN3O2/c1-18(31)27-23-7-4-8-24-21(23)10-9-20(28-24)16-29-13-11-25(17-30,12-14-29)15-19-5-2-3-6-22(19)26/h2-10,30H,11-17H2,1H3,(H,27,31)
InChIKeyVCPNYWVVLIIWLE-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.66
Rot. Bonds6

About N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide

N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide (PubChem CID 26405184) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
PubChem CID26405184
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2nc(CN3CCC(CO)(Cc4ccccc4Cl)CC3)ccc12
InChIInChI=1S/C25H28ClN3O2/c1-18(31)27-23-7-4-8-24-21(23)10-9-20(28-24)16-29-13-11-25(17-30,12-14-29)15-19-5-2-3-6-22(19)26/h2-10,30H,11-17H2,1H3,(H,27,31)
InChIKeyVCPNYWVVLIIWLE-UHFFFAOYSA-N
XLogP4.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
CID 25275868
N-[2-[[3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45176927
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897
N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 45170651
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
CID 56752619
[4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-4-yl]methanol
CID 28766387
1-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 26399890
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56752488
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 25369839
[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
CID 45173972

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The IUPAC name of N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide (CID 26405184) is N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide.
What is the SMILES notation for N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The canonical SMILES for N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide is CC(=O)Nc1cccc2nc(CN3CCC(CO)(Cc4ccccc4Cl)CC3)ccc12.
What is the InChIKey of N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The InChIKey is VCPNYWVVLIIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-18(31)27-23-7-4-8-24-21(23)10-9-20(28-24)16-29-13-11-25(17-30,12-14-29)15-19-5-2-3-6-22(19)26/h2-10,30H,11-17H2,1H3,(H,27,31).
What are the key properties of N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide has a molecular weight of 437.97 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide is sourced from PubChem (CID 26405184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).