N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide

C22H29N3O2 — CID 120897030

IUPACN-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCCC3C(C)N)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-16(23)21-8-3-4-13-25(21)15-17-6-5-7-19(14-17)24-22(26)18-9-11-20(27-2)12-10-18/h5-7,9-12,14,16,21H,3-4,8,13,15,23H2,1-2H3,(H,24,26)
InChIKeyIQKYCPKBFNDKFT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.65
Rot. Bonds6

About N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide

N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide (PubChem CID 120897030) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
PubChem CID120897030
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCCC3C(C)N)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-16(23)21-8-3-4-13-25(21)15-17-6-5-7-19(14-17)24-22(26)18-9-11-20(27-2)12-10-18/h5-7,9-12,14,16,21H,3-4,8,13,15,23H2,1-2H3,(H,24,26)
InChIKeyIQKYCPKBFNDKFT-UHFFFAOYSA-N
XLogP3.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038742
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
1-[[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985629
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
1-[[3-[(4-methoxybenzoyl)amino]phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125504
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
(2S)-2-amino-3-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131950206
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide (CID 120897030) is N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CN3CCCCC3C(C)N)c2)cc1.
What is the InChIKey of N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is IQKYCPKBFNDKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(23)21-8-3-4-13-25(21)15-17-6-5-7-19(14-17)24-22(26)18-9-11-20(27-2)12-10-18/h5-7,9-12,14,16,21H,3-4,8,13,15,23H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide?
N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 120897030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).