N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C19H29N5O3 — CID 56741886

IUPACN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(n2nccc2NC(=O)C2CC2)CC1)NCC1CCCO1
InChIInChI=1S/C19H29N5O3/c25-18(20-12-16-2-1-11-27-16)13-23-9-6-15(7-10-23)24-17(5-8-21-24)22-19(26)14-3-4-14/h5,8,14-16H,1-4,6-7,9-13H2,(H,20,25)(H,22,26)
InChIKeyVZYLAWDSGVKYGH-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.16
Rot. Bonds7

About N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 56741886) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID56741886
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(CN1CCC(n2nccc2NC(=O)C2CC2)CC1)NCC1CCCO1
InChIInChI=1S/C19H29N5O3/c25-18(20-12-16-2-1-11-27-16)13-23-9-6-15(7-10-23)24-17(5-8-21-24)22-19(26)14-3-4-14/h5,8,14-16H,1-4,6-7,9-13H2,(H,20,25)(H,22,26)
InChIKeyVZYLAWDSGVKYGH-UHFFFAOYSA-N
XLogP1.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
1-(2-cyclohexylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 24574468
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 95207571
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 56741886) is N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(CN1CCC(n2nccc2NC(=O)C2CC2)CC1)NCC1CCCO1.
What is the InChIKey of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is VZYLAWDSGVKYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c25-18(20-12-16-2-1-11-27-16)13-23-9-6-15(7-10-23)24-17(5-8-21-24)22-19(26)14-3-4-14/h5,8,14-16H,1-4,6-7,9-13H2,(H,20,25)(H,22,26).
What are the key properties of N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 56741886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).