N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide

C21H35N5O2 — CID 25280286

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cn[nH]c2)CC1
InChIInChI=1S/C21H35N5O2/c1-2-25-11-3-4-19(25)16-22-20(27)7-5-17-9-12-26(13-10-17)21(28)8-6-18-14-23-24-15-18/h14-15,17,19H,2-13,16H2,1H3,(H,22,27)(H,23,24)/t19-/m1/s1
InChIKeyZJEONXQIAINUDT-LJQANCHMSA-N
MW389.54 g/mol
LogP1.96
Rot. Bonds9

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 25280286) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID25280286
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cn[nH]c2)CC1
InChIInChI=1S/C21H35N5O2/c1-2-25-11-3-4-19(25)16-22-20(27)7-5-17-9-12-26(13-10-17)21(28)8-6-18-14-23-24-15-18/h14-15,17,19H,2-13,16H2,1H3,(H,22,27)(H,23,24)/t19-/m1/s1
InChIKeyZJEONXQIAINUDT-LJQANCHMSA-N
XLogP1.96
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide (CID 25280286) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide is CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cn[nH]c2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is ZJEONXQIAINUDT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-2-25-11-3-4-19(25)16-22-20(27)7-5-17-9-12-26(13-10-17)21(28)8-6-18-14-23-24-15-18/h14-15,17,19H,2-13,16H2,1H3,(H,22,27)(H,23,24)/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 389.54 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25280286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).