2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

C14H27N3O — CID 122562256

IUPAC2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CN1CCCCCCC1)NC[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c18-14(16-11-13-7-6-8-15-13)12-17-9-4-2-1-3-5-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m0/s1
InChIKeyVKIMAGOZKDHLQL-ZDUSSCGKSA-N
MW253.39 g/mol
LogP1.12
Rot. Bonds4

About 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 122562256) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID122562256
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CN1CCCCCCC1)NC[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c18-14(16-11-13-7-6-8-15-13)12-17-9-4-2-1-3-5-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m0/s1
InChIKeyVKIMAGOZKDHLQL-ZDUSSCGKSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514368
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
CID 154907305
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
CID 119512467
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (CID 122562256) is 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is O=C(CN1CCCCCCC1)NC[C@@H]1CCCN1.
What is the InChIKey of 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is VKIMAGOZKDHLQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N3O/c18-14(16-11-13-7-6-8-15-13)12-17-9-4-2-1-3-5-10-17/h13,15H,1-12H2,(H,16,18)/t13-/m0/s1.
What are the key properties of 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 122562256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).