N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide

C22H29N3O2 — CID 136554367

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(23-21-9-5-8-19(14-21)16-26)22(27)24-20-10-12-25(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,23,26H,10-13,15-16H2,1H3,(H,24,27)
InChIKeyUCJAXKUXAJDNLV-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.76
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 136554367) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID136554367
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2/c1-17(23-21-9-5-8-19(14-21)16-26)22(27)24-20-10-12-25(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,23,26H,10-13,15-16H2,1H3,(H,24,27)
InChIKeyUCJAXKUXAJDNLV-UHFFFAOYSA-N
XLogP2.76
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide
CID 167756872
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
CID 42696609
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 42956372
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 111431834
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide (CID 136554367) is N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide is CC(Nc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is UCJAXKUXAJDNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(23-21-9-5-8-19(14-21)16-26)22(27)24-20-10-12-25(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,23,26H,10-13,15-16H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 136554367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).