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

C13H23N3O4 — CID 60962909

IUPACethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H23N3O4/c1-2-20-13(19)15-9-4-3-5-16(8-9)12(18)11-6-10(17)7-14-11/h9-11,14,17H,2-8H2,1H3,(H,15,19)
InChIKeyVZFHAOKEJVYWKH-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.55
Rot. Bonds3

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

ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate (PubChem CID 60962909) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
PubChem CID60962909
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nameethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H23N3O4/c1-2-20-13(19)15-9-4-3-5-16(8-9)12(18)11-6-10(17)7-14-11/h9-11,14,17H,2-8H2,1H3,(H,15,19)
InChIKeyVZFHAOKEJVYWKH-UHFFFAOYSA-N
XLogP-0.55
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
CID 54872034
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
CID 64822043
1-(4-hydroxypyrrolidine-2-carbonyl)-N-propylpiperidine-3-carboxamide
CID 119763378
ethyl N-[(3R)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]carbamate
CID 94183634
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124832336
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate (CID 60962909) is ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is VZFHAOKEJVYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-2-20-13(19)15-9-4-3-5-16(8-9)12(18)11-6-10(17)7-14-11/h9-11,14,17H,2-8H2,1H3,(H,15,19).
What are the key properties of ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 285.34 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 60962909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).