N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide

C17H25N3O5 — CID 56896856

IUPACN-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)o1
InChIInChI=1S/C17H25N3O5/c1-24-15-5-4-14(25-15)16(22)20-9-6-12(13(21)11-20)10-18-17(23)19-7-2-3-8-19/h4-5,12-13,21H,2-3,6-11H2,1H3,(H,18,23)/t12-,13+/m0/s1
InChIKeyLRVXOMKJHPOVNE-QWHCGFSZSA-N
MW351.40 g/mol
LogP0.92
Rot. Bonds4

About N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide

N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 56896856) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID56896856
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)o1
InChIInChI=1S/C17H25N3O5/c1-24-15-5-4-14(25-15)16(22)20-9-6-12(13(21)11-20)10-18-17(23)19-7-2-3-8-19/h4-5,12-13,21H,2-3,6-11H2,1H3,(H,18,23)/t12-,13+/m0/s1
InChIKeyLRVXOMKJHPOVNE-QWHCGFSZSA-N
XLogP0.92
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 72850063
[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 133133676
ethyl 4-[1-(5-methoxyfuran-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45185738
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 97196493
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23938280
(9aR)-2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95143432
2-(5-methoxyfuran-2-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50980143

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide (CID 56896856) is N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide is COc1ccc(C(=O)N2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)o1.
What is the InChIKey of N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is LRVXOMKJHPOVNE-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-24-15-5-4-14(25-15)16(22)20-9-6-12(13(21)11-20)10-18-17(23)19-7-2-3-8-19/h4-5,12-13,21H,2-3,6-11H2,1H3,(H,18,23)/t12-,13+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 56896856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).