2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C18H30N4O2 — CID 95341234

IUPAC2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@H](O)CN1CCC(CN(C)CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H30N4O2/c1-15(23)12-22-9-6-16(7-10-22)13-21(2)14-18(24)20-11-17-5-3-4-8-19-17/h3-5,8,15-16,23H,6-7,9-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyMPKDZAPBVYFBHI-HNNXBMFYSA-N
MW334.46 g/mol
LogP0.72
Rot. Bonds8

About 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95341234) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95341234
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@H](O)CN1CCC(CN(C)CC(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H30N4O2/c1-15(23)12-22-9-6-16(7-10-22)13-21(2)14-18(24)20-11-17-5-3-4-8-19-17/h3-5,8,15-16,23H,6-7,9-14H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyMPKDZAPBVYFBHI-HNNXBMFYSA-N
XLogP0.72
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 56802568
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 95341234) is 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is C[C@H](O)CN1CCC(CN(C)CC(=O)NCc2ccccn2)CC1.
What is the InChIKey of 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MPKDZAPBVYFBHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(23)12-22-9-6-16(7-10-22)13-21(2)14-18(24)20-11-17-5-3-4-8-19-17/h3-5,8,15-16,23H,6-7,9-14H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95341234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).