N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C16H27N3O3 — CID 124997633

IUPACN-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-12(20)17-14-4-7-18(8-5-14)10-16(22)6-9-19(11-16)15(21)13-2-3-13/h13-14,22H,2-11H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyRBTBEAIHCKNACT-MRXNPFEDSA-N
MW309.41 g/mol
LogP-0.04
Rot. Bonds4

About N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124997633) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124997633
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)C3CC3)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-12(20)17-14-4-7-18(8-5-14)10-16(22)6-9-19(11-16)15(21)13-2-3-13/h13-14,22H,2-11H2,1H3,(H,17,20)/t16-/m1/s1
InChIKeyRBTBEAIHCKNACT-MRXNPFEDSA-N
XLogP-0.04
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124990593
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
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
N-[1-[[4-hydroxy-1-(2-pyridin-3-ylacetyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123120
N-[1-[[4-hydroxy-1-(6-methylpyridine-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110098129
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
N-[1-[[4-hydroxy-1-[2-(4-methoxyphenyl)acetyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123234

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 124997633) is N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@]2(O)CCN(C(=O)C3CC3)C2)CC1.
What is the InChIKey of N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is RBTBEAIHCKNACT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(20)17-14-4-7-18(8-5-14)10-16(22)6-9-19(11-16)15(21)13-2-3-13/h13-14,22H,2-11H2,1H3,(H,17,20)/t16-/m1/s1.
What are the key properties of N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124997633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).