N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide

C12H21N3O3 — CID 54872034

IUPACN-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(7-9)12(18)11-5-10(17)6-13-11/h9-11,13,17H,2-7H2,1H3,(H,14,16)
InChIKeySQBLRCQOJFGDSU-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.16
Rot. Bonds2

About N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 54872034) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID54872034
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(7-9)12(18)11-5-10(17)6-13-11/h9-11,13,17H,2-7H2,1H3,(H,14,16)
InChIKeySQBLRCQOJFGDSU-UHFFFAOYSA-N
XLogP-1.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
CID 60962909
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-3-yl]acetamide
CID 114428489
1-(4-hydroxypyrrolidine-2-carbonyl)-N-propylpiperidine-3-carboxamide
CID 119763378
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 93375850
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
trans-(1S,2S)-2-[(3R)-3-acetamidopiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93378578
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
(4-hydroxypyrrolidin-2-yl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119877822
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
[4-hydroxy-4-[(3R)-1-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]piperidin-3-yl]butyl]carbamic acid
CID 68990515

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide (CID 54872034) is N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is SQBLRCQOJFGDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(16)14-9-3-2-4-15(7-9)12(18)11-5-10(17)6-13-11/h9-11,13,17H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 255.32 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 54872034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).