N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

C16H29N5O — CID 95757698

IUPACN-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCCN1CCC(NC(=O)CN[C@@H](C)Cn2cc(C)cn2)CC1
InChIInChI=1S/C16H29N5O/c1-4-20-7-5-15(6-8-20)19-16(22)10-17-14(3)12-21-11-13(2)9-18-21/h9,11,14-15,17H,4-8,10,12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyMVVYRLLOVGZNFX-AWEZNQCLSA-N
MW307.44 g/mol
LogP0.77
Rot. Bonds7

About N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide

N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (PubChem CID 95757698) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
PubChem CID95757698
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
SMILESCCN1CCC(NC(=O)CN[C@@H](C)Cn2cc(C)cn2)CC1
InChIInChI=1S/C16H29N5O/c1-4-20-7-5-15(6-8-20)19-16(22)10-17-14(3)12-21-11-13(2)9-18-21/h9,11,14-15,17H,4-8,10,12H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyMVVYRLLOVGZNFX-AWEZNQCLSA-N
XLogP0.77
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide (CID 95757698) is N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is CCN1CCC(NC(=O)CN[C@@H](C)Cn2cc(C)cn2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
The InChIKey is MVVYRLLOVGZNFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29N5O/c1-4-20-7-5-15(6-8-20)19-16(22)10-17-14(3)12-21-11-13(2)9-18-21/h9,11,14-15,17H,4-8,10,12H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide has a molecular weight of 307.44 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95757698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).