N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide

C18H29N3O3 — CID 97079220

IUPACN-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOC[C@@H](O)CN1CCC(NCc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-14(22)20-17-5-3-15(4-6-17)11-19-16-7-9-21(10-8-16)12-18(23)13-24-2/h3-6,16,18-19,23H,7-13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyHFYVLBFOMFWRGC-SFHVURJKSA-N
MW335.45 g/mol
LogP1.21
Rot. Bonds8

About N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide

N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 97079220) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID97079220
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCOC[C@@H](O)CN1CCC(NCc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-14(22)20-17-5-3-15(4-6-17)11-19-16-7-9-21(10-8-16)12-18(23)13-24-2/h3-6,16,18-19,23H,7-13H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyHFYVLBFOMFWRGC-SFHVURJKSA-N
XLogP1.21
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide (CID 97079220) is N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide is COC[C@@H](O)CN1CCC(NCc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is HFYVLBFOMFWRGC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(22)20-17-5-3-15(4-6-17)11-19-16-7-9-21(10-8-16)12-18(23)13-24-2/h3-6,16,18-19,23H,7-13H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-[(2S)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 97079220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).