(1-cyclopropylpiperidin-3-yl)carbamic acid

C9H16N2O2 — CID 170157266

IUPAC(1-cyclopropylpiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCCN(C2CC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)10-7-2-1-5-11(6-7)8-3-4-8/h7-8,10H,1-6H2,(H,12,13)
InChIKeyYKXKZQZZFDPUBH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.88
Rot. Bonds2

About (1-cyclopropylpiperidin-3-yl)carbamic acid

(1-cyclopropylpiperidin-3-yl)carbamic acid (PubChem CID 170157266) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-cyclopropylpiperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-cyclopropylpiperidin-3-yl)carbamic acid
PubChem CID170157266
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1-cyclopropylpiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCCN(C2CC2)C1
InChIInChI=1S/C9H16N2O2/c12-9(13)10-7-2-1-5-11(6-7)8-3-4-8/h7-8,10H,1-6H2,(H,12,13)
InChIKeyYKXKZQZZFDPUBH-UHFFFAOYSA-N
XLogP0.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[1-(9H-fluoren-9-yl)piperidin-3-yl]carbamic acid
CID 126674115
tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
CID 171837901
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cycloheptanecarboxamide
CID 45184033
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpiperidin-3-yl)carbamic acid?
The IUPAC name of (1-cyclopropylpiperidin-3-yl)carbamic acid (CID 170157266) is (1-cyclopropylpiperidin-3-yl)carbamic acid.
What is the SMILES notation for (1-cyclopropylpiperidin-3-yl)carbamic acid?
The canonical SMILES for (1-cyclopropylpiperidin-3-yl)carbamic acid is O=C(O)NC1CCCN(C2CC2)C1.
What is the InChIKey of (1-cyclopropylpiperidin-3-yl)carbamic acid?
The InChIKey is YKXKZQZZFDPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(13)10-7-2-1-5-11(6-7)8-3-4-8/h7-8,10H,1-6H2,(H,12,13).
What are the key properties of (1-cyclopropylpiperidin-3-yl)carbamic acid?
(1-cyclopropylpiperidin-3-yl)carbamic acid has a molecular weight of 184.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpiperidin-3-yl)carbamic acid is sourced from PubChem (CID 170157266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).