N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C18H31N3O4 — CID 124990593

IUPACN-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C18H31N3O4/c1-14(22)19-16-2-7-20(8-3-16)12-18(24)6-9-21(13-18)17(23)15-4-10-25-11-5-15/h15-16,24H,2-13H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyPCWWNNXSNMTCNX-SFHVURJKSA-N
MW353.46 g/mol
LogP-0.02
Rot. Bonds4

About N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124990593) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124990593
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)C3CCOCC3)C2)CC1
InChIInChI=1S/C18H31N3O4/c1-14(22)19-16-2-7-20(8-3-16)12-18(24)6-9-21(13-18)17(23)15-4-10-25-11-5-15/h15-16,24H,2-13H2,1H3,(H,19,22)/t18-/m0/s1
InChIKeyPCWWNNXSNMTCNX-SFHVURJKSA-N
XLogP-0.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124997633
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
N-[1-[[1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098093
N-[1-[[(4S)-1-(2-cyclohexylacetyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125008831
N-[1-[[(4S)-4-hydroxy-1-(2-methylpropanoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125010208
N-[1-[[(3S)-3-hydroxy-1-propan-2-ylsulfonylpyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 125009156
(1,1-dioxothiolan-3-yl)-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 155983604
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123120
N-[1-[[4-hydroxy-1-(1H-imidazole-5-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110112053
N-[1-[[4-hydroxy-1-(1-methylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098133

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 124990593) is N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@@]2(O)CCN(C(=O)C3CCOCC3)C2)CC1.
What is the InChIKey of N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is PCWWNNXSNMTCNX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-14(22)19-16-2-7-20(8-3-16)12-18(24)6-9-21(13-18)17(23)15-4-10-25-11-5-15/h15-16,24H,2-13H2,1H3,(H,19,22)/t18-/m0/s1.
What are the key properties of N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 353.46 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124990593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).