[(3S)-1-propylpiperidin-3-yl]carbamic acid

C9H18N2O2 — CID 118936390

IUPAC[(3S)-1-propylpiperidin-3-yl]carbamic acid
SMILESCCCN1CCC[C@H](NC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-6-3-4-8(7-11)10-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCQVHBTCXVUOBDE-QMMMGPOBSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds3

About [(3S)-1-propylpiperidin-3-yl]carbamic acid

[(3S)-1-propylpiperidin-3-yl]carbamic acid (PubChem CID 118936390) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(3S)-1-propylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-1-propylpiperidin-3-yl]carbamic acid
PubChem CID118936390
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[(3S)-1-propylpiperidin-3-yl]carbamic acid
SMILESCCCN1CCC[C@H](NC(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-6-3-4-8(7-11)10-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyCQVHBTCXVUOBDE-QMMMGPOBSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
3-[3-(propanoylamino)piperidin-1-yl]propanoic acid;hydrochloride
CID 71933075
2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
CID 83982898
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
3-bromo-N-(1-propylpyrrolidin-3-yl)prop-2-ynamide
CID 131113545

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-propylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-1-propylpiperidin-3-yl]carbamic acid (CID 118936390) is [(3S)-1-propylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-1-propylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-1-propylpiperidin-3-yl]carbamic acid is CCCN1CCC[C@H](NC(=O)O)C1.
What is the InChIKey of [(3S)-1-propylpiperidin-3-yl]carbamic acid?
The InChIKey is CQVHBTCXVUOBDE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-5-11-6-3-4-8(7-11)10-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of [(3S)-1-propylpiperidin-3-yl]carbamic acid?
[(3S)-1-propylpiperidin-3-yl]carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-propylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 118936390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).