(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

C16H31N3O+2 — CID 7437060

IUPAC(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH+]2CCCCC2)CC1
InChIInChI=1S/C16H29N3O/c1-13(16(20)17-14-5-6-14)18-11-7-15(8-12-18)19-9-3-2-4-10-19/h13-15H,2-12H2,1H3,(H,17,20)/p+2/t13-/m0/s1
InChIKeyGYFCOONCIZQKMD-ZDUSSCGKSA-P
MW281.44 g/mol
LogP-1.23
Rot. Bonds4

About (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (PubChem CID 7437060) has the molecular formula C16H31N3O+2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
PubChem CID7437060
Molecular FormulaC16H31N3O+2
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH+]2CCCCC2)CC1
InChIInChI=1S/C16H29N3O/c1-13(16(20)17-14-5-6-14)18-11-7-15(8-12-18)19-9-3-2-4-10-19/h13-15H,2-12H2,1H3,(H,17,20)/p+2/t13-/m0/s1
InChIKeyGYFCOONCIZQKMD-ZDUSSCGKSA-P
XLogP-1.23
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide
CID 7437037
(2S)-N-(cyclohexylcarbamoyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 8896287
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide
CID 8543235
(2R)-N-cycloheptyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9276816
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
(2R)-N-cycloheptyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461962
(2S)-N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8710428
(2R)-N-cyclopropyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8559438
methyl 1-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-1-ium-4-carboxylate
CID 8754628
(2S)-N-cyclopropyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]propanamide
CID 8556538

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide (CID 7437060) is (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is C[C@@H](C(=O)NC1CC1)[NH+]1CCC([NH+]2CCCCC2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is GYFCOONCIZQKMD-ZDUSSCGKSA-P. The full InChI is InChI=1S/C16H29N3O/c1-13(16(20)17-14-5-6-14)18-11-7-15(8-12-18)19-9-3-2-4-10-19/h13-15H,2-12H2,1H3,(H,17,20)/p+2/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide?
(2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 281.44 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7437060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).