N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide

C16H28N4O — CID 95625919

IUPACN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide
SMILESCC[C@H]1CCCCN1CCNC(=O)CCCn1ccnc1
InChIInChI=1S/C16H28N4O/c1-2-15-6-3-4-11-20(15)13-9-18-16(21)7-5-10-19-12-8-17-14-19/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyAZIXCFJVNGMBJT-HNNXBMFYSA-N
MW292.43 g/mol
LogP2.04
Rot. Bonds8

About N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide

N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide (PubChem CID 95625919) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide
PubChem CID95625919
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide
SMILESCC[C@H]1CCCCN1CCNC(=O)CCCn1ccnc1
InChIInChI=1S/C16H28N4O/c1-2-15-6-3-4-11-20(15)13-9-18-16(21)7-5-10-19-12-8-17-14-19/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyAZIXCFJVNGMBJT-HNNXBMFYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide?
The IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide (CID 95625919) is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide is CC[C@H]1CCCCN1CCNC(=O)CCCn1ccnc1.
What is the InChIKey of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide?
The InChIKey is AZIXCFJVNGMBJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-15-6-3-4-11-20(15)13-9-18-16(21)7-5-10-19-12-8-17-14-19/h8,12,14-15H,2-7,9-11,13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide?
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide has a molecular weight of 292.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 95625919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).