N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide

C22H35N2O+ — CID 7299939

IUPACN-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N2O/c1-18(19-9-5-4-6-10-19)17-24-15-13-20(14-16-24)22(25)23-21-11-7-2-3-8-12-21/h4-6,9-10,18,20-21H,2-3,7-8,11-17H2,1H3,(H,23,25)/p+1/t18-/m0/s1
InChIKeyDMLPBHVBMDDOKI-SFHVURJKSA-O
MW343.54 g/mol
LogP2.92
Rot. Bonds5

About N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide

N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide (PubChem CID 7299939) has the molecular formula C22H35N2O+ and a molecular weight of 343.54 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
PubChem CID7299939
Molecular FormulaC22H35N2O+
Molecular Weight343.54 g/mol
Exact Mass343.27
IUPAC NameN-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
SMILESC[C@@H](C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N2O/c1-18(19-9-5-4-6-10-19)17-24-15-13-20(14-16-24)22(25)23-21-11-7-2-3-8-12-21/h4-6,9-10,18,20-21H,2-3,7-8,11-17H2,1H3,(H,23,25)/p+1/t18-/m0/s1
InChIKeyDMLPBHVBMDDOKI-SFHVURJKSA-O
XLogP2.92
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxylate
CID 6962639
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
N-[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 7102293
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
4-cyclohexylpentan-2-ylbenzene;ethane;methanol
CID 90992156
1-cyclopropyl-2-[(2S)-2-phenylpropyl]guanidine
CID 95766819

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide (CID 7299939) is N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide is C[C@@H](C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1.
What is the InChIKey of N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide?
The InChIKey is DMLPBHVBMDDOKI-SFHVURJKSA-O. The full InChI is InChI=1S/C22H34N2O/c1-18(19-9-5-4-6-10-19)17-24-15-13-20(14-16-24)22(25)23-21-11-7-2-3-8-12-21/h4-6,9-10,18,20-21H,2-3,7-8,11-17H2,1H3,(H,23,25)/p+1/t18-/m0/s1.
What are the key properties of N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide?
N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide has a molecular weight of 343.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7299939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).