N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide

C11H21N3O2 — CID 66567593

IUPACN-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyQGZLRGBYTIHKGD-QMMMGPOBSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 66567593) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID66567593
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyQGZLRGBYTIHKGD-QMMMGPOBSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
N-[[(3R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 96554614
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one
CID 119337266
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
N-[[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736162
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
(2R)-2-amino-1-[4-(cyclopropylmethoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119337265

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide (CID 66567593) is N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is QGZLRGBYTIHKGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(12)11(16)14-5-3-10(4-6-14)7-13-9(2)15/h8,10H,3-7,12H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 66567593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).