2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide

C10H21N2O+ — CID 7412128

IUPAC2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
SMILESCC(C)(C)C(=O)NC1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyKQQRSEOEXIQMQE-UHFFFAOYSA-O
MW185.29 g/mol
LogP-0.13
Rot. Bonds1

About 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide

2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide (PubChem CID 7412128) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
PubChem CID7412128
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide
SMILESCC(C)(C)C(=O)NC1CC[NH2+]CC1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1
InChIKeyKQQRSEOEXIQMQE-UHFFFAOYSA-O
XLogP-0.13
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide?
The IUPAC name of 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide (CID 7412128) is 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide is CC(C)(C)C(=O)NC1CC[NH2+]CC1.
What is the InChIKey of 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide?
The InChIKey is KQQRSEOEXIQMQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/p+1.
What are the key properties of 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide?
2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide has a molecular weight of 185.29 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-piperidin-1-ium-4-ylpropanamide is sourced from PubChem (CID 7412128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).