(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid

C8H15N3O4 — CID 67548871

IUPAC(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid
SMILESCOC1CN(C(N)=O)CCC1NC(=O)O
InChIInChI=1S/C8H15N3O4/c1-15-6-4-11(7(9)12)3-2-5(6)10-8(13)14/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyJWLOHZNONCFPKO-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.58
Rot. Bonds2

About (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid

(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid (PubChem CID 67548871) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid
PubChem CID67548871
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid
SMILESCOC1CN(C(N)=O)CCC1NC(=O)O
InChIInChI=1S/C8H15N3O4/c1-15-6-4-11(7(9)12)3-2-5(6)10-8(13)14/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,13,14)
InChIKeyJWLOHZNONCFPKO-UHFFFAOYSA-N
XLogP-0.58
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
CID 68520665
(2-methoxycyclopropyl)carbamic acid
CID 91613377
[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
CID 146636200
ethyl (3S,4R)-4-[(4-amino-3-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidine-1-carboxylate
CID 71046604
(3S,4R)-4-[(4-chloro-3-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidine-1-carboxylic acid
CID 68629011
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
CID 130156406
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
(3S)-3-hydroxypyrrolidine-1-carboxamide;hydrochloride
CID 173100339
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid?
The IUPAC name of (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid (CID 67548871) is (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid is COC1CN(C(N)=O)CCC1NC(=O)O.
What is the InChIKey of (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid?
The InChIKey is JWLOHZNONCFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-15-6-4-11(7(9)12)3-2-5(6)10-8(13)14/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid?
(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid has a molecular weight of 217.22 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid is sourced from PubChem (CID 67548871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).