N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

C22H37N5O2 — CID 45186570

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C22H37N5O2/c1-4-25-11-5-6-20(25)15-23-21(28)8-7-18-9-12-26(13-10-18)22(29)19-14-24-27(16-19)17(2)3/h14,16-18,20H,4-13,15H2,1-3H3,(H,23,28)
InChIKeyIQRKMJYHFIWWOL-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.70
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45186570) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID45186570
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C22H37N5O2/c1-4-25-11-5-6-20(25)15-23-21(28)8-7-18-9-12-26(13-10-18)22(29)19-14-24-27(16-19)17(2)3/h14,16-18,20H,4-13,15H2,1-3H3,(H,23,28)
InChIKeyIQRKMJYHFIWWOL-UHFFFAOYSA-N
XLogP2.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-methylpyrazole-4-carboxamide
CID 126678601
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
N-cyclohexyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53576139
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
N-{rel-(3R,4S)-4-cyclopropyl-1-[3-(methylthio)propyl]-3-pyrrolidinyl}-1-methyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72907256
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
CID 118743162
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 45186570) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2cnn(C(C)C)c2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is IQRKMJYHFIWWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-4-25-11-5-6-20(25)15-23-21(28)8-7-18-9-12-26(13-10-18)22(29)19-14-24-27(16-19)17(2)3/h14,16-18,20H,4-13,15H2,1-3H3,(H,23,28).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 403.57 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45186570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).