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

C21H35N5O2 — CID 45199830

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=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)
InChIKeyZJEONXQIAINUDT-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.96
Rot. Bonds9

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 45199830) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID45199830
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=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)
InChIKeyZJEONXQIAINUDT-UHFFFAOYSA-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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Related Compounds

{(3R*,4R*)-4-[(4-methyl-1-piperazinyl)methyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinyl}methanol
CID 72864160
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 25381889
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 70782329
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
(1S*,6R*)-9-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[4.2.1]nonane
CID 74243011
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide (CID 45199830) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCc2cn[nH]c2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is ZJEONXQIAINUDT-UHFFFAOYSA-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).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide?
N-[(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-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45199830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).